Geometry & MOs

Info

ID:	236275
PubChem CID:	92712173
Reduced:	ClSO2N4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	514.167477
ΔH_f, kcal/mol:	18.76
Dipole, Da:	5.21
IP(EA), eV:	-9.17(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H]2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC(=O)NCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations