Geometry & MOs

Info

ID:

94308

PubChem CID:

49999546

Reduced:

O5N6C44H64 (1)

Stoich.:

A5B6C44D64 (1)

Weight, g/mol:

716.462519

ΔHf, kcal/mol:

-265.0

Dipole, Da:

10.04

IP(EA), eV:

 -8.79(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5C)C

DOS

IR

Vibrations