Geometry & MOs

Info

ID:

168367

PubChem CID:

74958001

Reduced:

SO4N6C35H50 (1)

Stoich.:

AB4C6D35E50 (1)

Weight, g/mol:

867.383656

ΔHf, kcal/mol:

-145.66

Dipole, Da:

4.68

IP(EA), eV:

 -7.94(0.11)

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;1-[(4-methoxyphenyl)-phenylmethyl]piperazine

Drug info:

PubChemData

Smile

CCN(CC)CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)N3CCN(C4=CC=CC=C43)C(=O)NC5C6CC7CC5CC(C7)(C6)O

DOS

IR

Vibrations