Geometry & MOs

Info

ID:	131612
PubChem CID:	51235073
Reduced:	OS2N5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	375.198048
ΔH_f, kcal/mol:	28.06
Dipole, Da:	5.42
IP(EA), eV:	-8.82(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N,N-di(propan-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)(C)C)SC1=NN=C(N1N)C2=CC=CS2

DOS

IR

Vibrations