Geometry & MOs

Info

ID:

114110

PubChem CID:

50472033

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-272.63

Dipole, Da:

9.79

IP(EA), eV:

 -9.08(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-chlorobenzoyl)amino]-4-methylanilino]-3-oxopropyl]-1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)F)F)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations