Geometry & MOs

Info

ID:	56105
PubChem CID:	17404412
Reduced:	SO3N5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	380.130697
ΔH_f, kcal/mol:	-78.04
Dipole, Da:	5.2
IP(EA), eV:	-8.81(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(1-methoxypropan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(=O)NC

DOS

IR

Vibrations