Geometry & MOs

Info

ID:	35993
PubChem CID:	7980608
Reduced:	NO3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	420.150764
ΔH_f, kcal/mol:	-71.25
Dipole, Da:	4.41
IP(EA), eV:	-9.39(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(4-methylphenoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)COC(=O)C1=CC2=CC=CC=C2C=C1)C3=CC=CC=C3

DOS

IR

Vibrations