Geometry & MOs

Info

ID:

111438

PubChem CID:

50367453

Reduced:

ClO5N6C39H45 (1)

Stoich.:

AB5C6D39E45 (1)

Weight, g/mol:

744.457434

ΔHf, kcal/mol:

-180.26

Dipole, Da:

5.39

IP(EA), eV:

 -8.42(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(cyclopentylcarbamoyl)-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Cl)C(=O)NC6CCCC6

DOS

IR

Vibrations