Geometry & MOs

Info

ID:	59024
PubChem CID:	24770345
Reduced:	SF3N3O5C27H30 (1)
Stoich.:	AB3C3D5E27F30 (1)
Weight, g/mol:	617.180741
ΔH_f, kcal/mol:	-290.86
Dipole, Da:	4.55
IP(EA), eV:	-9.36(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2R,6S)-1-(2,4-difluorophenyl)sulfonyl-6-(3-fluorophenyl)piperidin-2-yl]cyclopropyl] 4-(furan-2-carbonyl)piperazine-1-carboxylate

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

CC(=O)N1CCN(CC1)C(=O)OC2(CC2)[C@H]3CCC[C@H](N3S(=O)(=O)C4=C(C=C(C=C4)F)F)C5=CC(=CC=C5)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

CC(=O)N1CCN(CC1)C(=O)OC2(CC2)[C@H]3CCC[C@H](N3S(=O)(=O)C4=C(C=C(C=C4)F)F)C5=CC(=CC=C5)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):