Geometry & MOs

Info

ID:

167376

PubChem CID:

74817205

Reduced:

N5O8C24H37 (1)

Stoich.:

A5B8C24D37 (1)

Weight, g/mol:

669.267958

ΔHf, kcal/mol:

-363.85

Dipole, Da:

5.79

IP(EA), eV:

 -9.78(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[[1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-[2-(oxan-2-yloxy)propan-2-yl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)O)NC(=O)CN

DOS

IR

Vibrations