Geometry & MOs

Info

ID:

110423

PubChem CID:

50324152

Reduced:

F2O4N5C27H33 (1)

Stoich.:

A2B4C5D27E33 (1)

Weight, g/mol:

674.322811

ΔHf, kcal/mol:

-240.25

Dipole, Da:

2.08

IP(EA), eV:

 -8.88(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-fluoro-3-[(2-methoxybenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)F)C(=O)N(C)C

DOS

IR

Vibrations