Geometry & MOs

Info

ID:	33588
PubChem CID:	7887091
Reduced:	OS2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	414.124943
ΔH_f, kcal/mol:	0.64
Dipole, Da:	3.49
IP(EA), eV:	-8.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@@H](C)NC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C

DOS

IR

Vibrations