Geometry & MOs

Info

ID:	144423
PubChem CID:	53366270
Reduced:	ClO2N5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	400.120526
ΔH_f, kcal/mol:	-19.88
Dipole, Da:	3.18
IP(EA), eV:	-8.47(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC(=O)NCCC3=CC=C(C=C3)Cl)C)C

DOS

IR

Vibrations