Geometry & MOs

Info

ID:	194012
PubChem CID:	78468419
Reduced:	SO3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	379.171834
ΔH_f, kcal/mol:	-71.74
Dipole, Da:	2.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754827
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenylbutan-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)C3C(=[N+](C(=O)N(C3=O)C)CC(C)C)N

DOS

IR

Vibrations