Geometry & MOs

Info

ID:

114717

PubChem CID:

50493988

Reduced:

F4O5N6H38C39 (1)

Stoich.:

A4B5C6D38E39 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-319.68

Dipole, Da:

3.93

IP(EA), eV:

 -8.98(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4=C(C=CC=C4F)F)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations