Geometry & MOs

Info

ID:	236272
PubChem CID:	92712149
Reduced:	ClSO2N4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	500.151826
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	6.57
IP(EA), eV:	-8.84(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=O)N2C(=N1)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations