Geometry & MOs

Info

ID:

91404

PubChem CID:

49975699

Reduced:

N6O7C35H46 (1)

Stoich.:

A6B7C35D46 (1)

Weight, g/mol:

702.317726

ΔHf, kcal/mol:

-276.85

Dipole, Da:

5.91

IP(EA), eV:

 -9.1(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[(2-methoxybenzoyl)amino]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(=CC=C1)C(=O)N2CCOCC2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations