Geometry & MOs

Info

ID:

100488

PubChem CID:

50061750

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-175.41

Dipole, Da:

6.29

IP(EA), eV:

 -8.78(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclohexanecarbonylamino)-4-methylanilino]-3-oxopropyl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC(C)C4=CC=CC=C4

DOS

IR

Vibrations