Geometry & MOs

Info

ID:

91513

PubChem CID:

49976598

Reduced:

N6O8C35H46 (1)

Stoich.:

A6B8C35D46 (1)

Weight, g/mol:

702.317726

ΔHf, kcal/mol:

-307.19

Dipole, Da:

9.93

IP(EA), eV:

 -8.73(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-fluoro-3-[(4-methoxybenzoyl)amino]anilino]-3-oxopropyl]-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)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations