Geometry & MOs

Info

ID:

112490

PubChem CID:

50409402

Reduced:

O4N5C31H43 (1)

Stoich.:

A4B5C31D43 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-168.17

Dipole, Da:

10.77

IP(EA), eV:

 -8.66(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)C)C)C

DOS

IR

Vibrations