Geometry & MOs

Info

ID:

445549

PubChem CID:

135267955

Reduced:

NO4C24H25 (1)

Stoich.:

AB4C24D25 (1)

Weight, g/mol:

663.451226

ΔHf, kcal/mol:

-97.58

Dipole, Da:

3.06

IP(EA), eV:

-8.3(-0.66)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[2-[[(2S)-3-[[5-methyl-2-(2-methyloxiran-2-yl)hex-1-en-3-yl]amino]-1-phenylbut-3-en-2-yl]amino]-5-phenylpent-1-en-3-yl]-3-(piperidin-1-ylmethyl)-2H-pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CC12C=CC=CC1N(C3=CC=CC=C23)CC(COC4=CC=C(C=C4)C(=O)OC)O

DOS

IR

Vibrations