Geometry & MOs

Info

ID:

91457

PubChem CID:

49975986

Reduced:

N6O7C34H46 (1)

Stoich.:

A6B7C34D46 (1)

Weight, g/mol:

672.307161

ΔHf, kcal/mol:

-281.51

Dipole, Da:

12.2

IP(EA), eV:

 -8.81(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-fluorophenyl)carbamoyl]anilino]-1-oxopropan-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(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)OC

DOS

IR

Vibrations