Geometry & MOs

Info

ID:

96675

PubChem CID:

50023397

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-241.17

Dipole, Da:

4.12

IP(EA), eV:

 -8.55(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2,6-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C(C)C

DOS

IR

Vibrations