Geometry & MOs

Info

ID:

91746

PubChem CID:

49978599

Reduced:

N6O7C36H48 (1)

Stoich.:

A6B7C36D48 (1)

Weight, g/mol:

702.410483

ΔHf, kcal/mol:

-271.11

Dipole, Da:

8.99

IP(EA), eV:

 -9.04(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations