Geometry & MOs

Info

ID:	338681
PubChem CID:	127259692
Reduced:	ClSO2N3C20H24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	-45.17
Dipole, Da:	8.28
IP(EA), eV:	-8.59(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetyl-4-aminophenyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC4=CSC=C4)Cl)N

DOS

IR

Vibrations