Geometry & MOs

Info

ID:	154269
PubChem CID:	56313678
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-91.01
Dipole, Da:	4.36
IP(EA), eV:	-8.85(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)propanamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC(=CC=C1)N2CCCS2(=O)=O)C3=CC=CC=C3

DOS

IR

Vibrations