Geometry & MOs

Info

ID:	40666
PubChem CID:	8144494
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	376.148359
ΔH_f, kcal/mol:	-3.61
Dipole, Da:	4.65
IP(EA), eV:	-8.41(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1COCCN1CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations