Geometry & MOs

Info

ID:	194519
PubChem CID:	78548043
Reduced:	ClNSO3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	358.116486
ΔH_f, kcal/mol:	-104.07
Dipole, Da:	4.17
IP(EA), eV:	-8.87(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC(=O)C(C)SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations