Geometry & MOs

Info

ID:	234114
PubChem CID:	92297758
Reduced:	ClO2N6C30H31 (1)
Stoich.:	AB2C6D30E31 (1)
Weight, g/mol:	542.219702
ΔH_f, kcal/mol:	54.96
Dipole, Da:	6.14
IP(EA), eV:	-8.95(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@@H](C3=NN=NN3C4CCCCC4)N(CC5=CC=CC=C5Cl)CC6=CC=CO6

DOS

IR

Vibrations