Geometry & MOs

Info

ID:

97804

PubChem CID:

50035189

Reduced:

F3O5N6C34H37 (1)

Stoich.:

A3B5C6D34E37 (1)

Weight, g/mol:

744.288317

ΔHf, kcal/mol:

-302.68

Dipole, Da:

6.84

IP(EA), eV:

 -8.96(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-fluoro-3-[(4-methoxybenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations