Geometry & MOs

Info

ID:

112939

PubChem CID:

50426410

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-210.45

Dipole, Da:

7.81

IP(EA), eV:

 -8.84(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)N(C)C)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations