Geometry & MOs

Info

ID:

93487

PubChem CID:

49995050

Reduced:

ClO4N5C38H46 (1)

Stoich.:

AB4C5D38E46 (1)

Weight, g/mol:

651.378455

ΔHf, kcal/mol:

-155.22

Dipole, Da:

3.81

IP(EA), eV:

 -8.73(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations