Geometry & MOs

Info

ID:	56156
PubChem CID:	17422293
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	415.112126
ΔH_f, kcal/mol:	-65.96
Dipole, Da:	3.06
IP(EA), eV:	-8.83(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1)N2CCOCC2

DOS

IR

Vibrations