Geometry & MOs

Info

ID:

93403

PubChem CID:

49994844

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

704.389748

ΔHf, kcal/mol:

-236.95

Dipole, Da:

8.04

IP(EA), eV:

 -9.01(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)C

DOS

IR

Vibrations