Geometry & MOs

Info

ID:	55859
PubChem CID:	17396702
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-52.78
Dipole, Da:	3.45
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-ethyl-3,5-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)NC2=NC(=CS2)C3=CC=C(O3)CNC(=O)C

DOS

IR

Vibrations