Geometry & MOs

Info

ID:	382378
PubChem CID:	134973504
Reduced:	BrO7C13H17 (1)
Stoich.:	AB7C13D17 (1)
Weight, g/mol:	636.202538
ΔH_f, kcal/mol:	-274.24
Dipole, Da:	6.11
IP(EA), eV:	-10.78(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-phenylphosphoryl]phenyl]-2,3-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@]12C[C@H]([C@H]3[C@@H]([C@H]1CO[C@H](O2)CBr)O3)C(=O)O

DOS

IR

Vibrations