Geometry & MOs

Info

ID:	40988
PubChem CID:	8145073
Reduced:	SO2N4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	367.081305
ΔH_f, kcal/mol:	-20.36
Dipole, Da:	5.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.815361
Charge, e:	0

Chem-info

IUPAC name:

2-[[bis(thiophen-2-ylmethyl)amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C)CC3=CC=CC=C3

DOS

IR

Vibrations