Geometry & MOs

Info

ID:	40662
PubChem CID:	8144490
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	376.148359
ΔH_f, kcal/mol:	-8.24
Dipole, Da:	4.28
IP(EA), eV:	-8.28(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2C(=NN(C2=S)CN3CCOCC3)C4=CC=CC=C4)OC

DOS

IR

Vibrations