Geometry & MOs

Info

ID:	36125
PubChem CID:	7980792
Reduced:	SN2O5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	419.148121
ΔH_f, kcal/mol:	-168.54
Dipole, Da:	11.18
IP(EA), eV:	-8.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethoxy]-N-phenylbenzamide

Drug info:

PubChemData

Smile

C[C@]1(CCS(=O)(=O)C1)NC(=O)COC2=CC=CC=C2C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations