Geometry & MOs

Info

ID:

108882

PubChem CID:

50262969

Reduced:

ClO4N5C36H36 (1)

Stoich.:

AB4C5D36E36 (1)

Weight, g/mol:

639.34207

ΔHf, kcal/mol:

-96.88

Dipole, Da:

4.95

IP(EA), eV:

 -8.63(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)Cl)C

DOS

IR

Vibrations