Geometry & MOs

Info

ID:	40680
PubChem CID:	8144519
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	389.156184
ΔH_f, kcal/mol:	3.1
Dipole, Da:	4.39
IP(EA), eV:	-8.39(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1COCCN1CN2C(=S)N(C(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

DOS

IR

Vibrations