Geometry & MOs

Info

ID:	138812
PubChem CID:	52429278
Reduced:	NSCl2O4H11C15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	454.075406
ΔH_f, kcal/mol:	-57.64
Dipole, Da:	6.22
IP(EA), eV:	-9.12(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(5-chloro-2,4-dimethoxyphenyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCSC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations