Geometry & MOs

Info

ID:	30293
PubChem CID:	841097
Reduced:	ClNSO2C16H18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	328.105922
ΔH_f, kcal/mol:	-57.81
Dipole, Da:	4.56
IP(EA), eV:	-9.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[[2-(4-nitrophenyl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations