Geometry & MOs

Info

ID:	234149
PubChem CID:	92297823
Reduced:	SN3O3H31C36 (1)
Stoich.:	AB3C3D31E36 (1)
Weight, g/mol:	540.26376
ΔH_f, kcal/mol:	30.64
Dipole, Da:	3.54
IP(EA), eV:	-8.58(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-[benzyl(2-phenylethyl)amino]-(1-benzyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@@H](C)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C#N

DOS

IR

Vibrations