Geometry & MOs

Info

ID:	131275
PubChem CID:	51185394
Reduced:	NSO2C8H9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	309.111341
ΔH_f, kcal/mol:	-110.68
Dipole, Da:	6.71
IP(EA), eV:	-8.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyphenyl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC=C2O)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations