Geometry & MOs

Info

ID:

234044

PubChem CID:

92297605

Reduced:

SO3N6C29H30 (1)

Stoich.:

AB3C6D29E30 (1)

Weight, g/mol:

538.269239

ΔHf, kcal/mol:

-13.14

Dipole, Da:

4.64

IP(EA), eV:

 -8.07(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(S)-(1-cyclopentyltetrazol-5-yl)-[furan-2-ylmethyl-[(4-methoxyphenyl)methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N([C@H](C2=CC=C(C=C2)N(C)C)C(=O)NCC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N

DOS

IR

Vibrations