Geometry & MOs

Info

ID:

111507

PubChem CID:

50370473

Reduced:

N6O6C39H56 (1)

Stoich.:

A6B6C39D56 (1)

Weight, g/mol:

730.441784

ΔHf, kcal/mol:

-281.02

Dipole, Da:

8.44

IP(EA), eV:

 -8.11(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(cyclohexanecarbonylamino)-3-methoxyanilino]-3-oxopropyl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4C)OC

DOS

IR

Vibrations