Geometry & MOs

Info

ID:	55574
PubChem CID:	17395582
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	273.093583
ΔH_f, kcal/mol:	38.09
Dipole, Da:	3.62
IP(EA), eV:	-9.14(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylbutanenitrile

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

DOS

IR

Vibrations