Geometry & MOs

Info

ID:	25460
PubChem CID:	625389
Reduced:	O2H20C21 (1)
Stoich.:	A2B20C21 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	-21.99
Dipole, Da:	2.57
IP(EA), eV:	-9.32(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-4-phenyl-2-sulfanyl-1,4,6,8-tetrahydroquinazolin-5-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O

DOS

IR

Vibrations