Geometry & MOs

Info

ID:

91494

PubChem CID:

49976455

Reduced:

N6O6C37H50 (1)

Stoich.:

A6B6C37D50 (1)

Weight, g/mol:

718.329039

ΔHf, kcal/mol:

-243.04

Dipole, Da:

7.82

IP(EA), eV:

 -9.28(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,5-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]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=CC=C4C(=O)N5CCCCC5

DOS

IR

Vibrations