Geometry & MOs

Info

ID:	182186
PubChem CID:	76856389
Reduced:	SN4O4C26H30 (1)
Stoich.:	AB4C4D26E30 (1)
Weight, g/mol:	430.140783
ΔH_f, kcal/mol:	-107.1
Dipole, Da:	3.6
IP(EA), eV:	-9.4(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(7-chloro-4-oxo-4aH-quinazolin-2-yl)methyl-propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)NS(=O)(=O)C5C=CC6=NC(=O)NC6=C5

DOS

IR

Vibrations