Geometry & MOs

Info

ID:

104969

PubChem CID:

50106068

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-245.15

Dipole, Da:

16.39

IP(EA), eV:

 -8.91(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations