Geometry & MOs

Info

ID:	234106
PubChem CID:	92297741
Reduced:	OSCl2N5H25C26 (1)
Stoich.:	ABC2D5E25F26 (1)
Weight, g/mol:	540.240437
ΔH_f, kcal/mol:	48.49
Dipole, Da:	3.92
IP(EA), eV:	-9.03(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-(1-tert-butyltetrazol-5-yl)-[(4-chlorophenyl)methyl-(2-phenylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)SC2=NN=C(N2C3=CC=CC=C3)CNC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations