Geometry & MOs

Info

ID:	46461
PubChem CID:	10524507
Reduced:	N3O3S3H13C16 (1)
Stoich.:	A3B3C3D13E16 (1)
Weight, g/mol:	391.171834
ΔH_f, kcal/mol:	-36.89
Dipole, Da:	2.42
IP(EA), eV:	-8.73(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-phenyl-5,6,7,8-tetrahydroquinazolin-4-one

Drug info:

PubChemData

Smile

CSC1=NC(=CS1)CC2=NC3=C(O2)C=CC(=C3)CC4C(=O)NC(=O)S4

DOS

IR

Vibrations