Geometry & MOs

Info

ID:

178828

PubChem CID:

76386247

Reduced:

O2N3C6H9 (2)

Stoich.:

A2B3C6D9 (2)

Weight, g/mol:

710.27452

ΔHf, kcal/mol:

-89.77

Dipole, Da:

7.21

IP(EA), eV:

 -9.74(-1.17)

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-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid;(4-fluorophenyl)methanamine

Drug info:

PubChemData

Smile

CN(C)C1C(C(OC1N2C=NC3C2=NC(=NC3=O)N)CO)O

DOS

IR

Vibrations