Geometry & MOs

Info

ID:	194010
PubChem CID:	78468417
Reduced:	NO4C23H27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	402.055339
ΔH_f, kcal/mol:	-149.82
Dipole, Da:	2.5
IP(EA), eV:	-9.06(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-nitrophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)C(C)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O)C

DOS

IR

Vibrations