Geometry & MOs

Info

ID:

90737

PubChem CID:

49971780

Reduced:

N6O7C40H50 (1)

Stoich.:

A6B7C40D50 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-259.58

Dipole, Da:

2.19

IP(EA), eV:

 -8.15(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2,6-difluorophenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)OC

DOS

IR

Vibrations