Geometry & MOs

Info

ID:	310189
PubChem CID:	126576410
Reduced:	NF2O4C29H29 (1)
Stoich.:	AB2C4D29E29 (1)
Weight, g/mol:	533.237765
ΔH_f, kcal/mol:	-171.67
Dipole, Da:	2.71
IP(EA), eV:	-9.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2R,4R,6S)-2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxan-4-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C/C=C\C=C/C(=C)[C@H]1C[C@H](C[C@H](O1)C2=CC=CC=C2)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C/C=C\C=C/C(=C)[C@H]1C[C@H](C[C@H](O1)C2=CC=CC=C2)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):