Geometry & MOs

Info

ID:	40673
PubChem CID:	8144503
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	389.156184
ΔH_f, kcal/mol:	-8.91
Dipole, Da:	5.14
IP(EA), eV:	-8.15(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)CN4CCOCC4

DOS

IR

Vibrations