Geometry & MOs

Info

ID:

91624

PubChem CID:

49977641

Reduced:

N6O7C38H46 (1)

Stoich.:

A6B7C38D46 (1)

Weight, g/mol:

702.317726

ΔHf, kcal/mol:

-249.41

Dipole, Da:

8.0

IP(EA), eV:

 -8.12(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-fluorobenzoyl)amino]-4-methoxyanilino]-2-oxoethyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C)OC

DOS

IR

Vibrations