Geometry & MOs

Info

ID:	309740
PubChem CID:	126556858
Reduced:	FN2P3C12H14O15 (1)
Stoich.:	AB2C3D12E14F15 (1)
Weight, g/mol:	549.196294
ΔH_f, kcal/mol:	-788.15
Dipole, Da:	3.09
IP(EA), eV:	-10.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2R,4S,6S)-4-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-6-phenyloxan-2-yl]-2-methylbenzoate

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@@]1([C@@H](O[C@]2([C@@]1(C2OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N3C=CC(=O)NC3=O)O

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@@]1([C@@H](O[C@]2([C@@]1(C2OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N3C=CC(=O)NC3=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):