Geometry & MOs

Info

ID:

93395

PubChem CID:

49994771

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

724.394833

ΔHf, kcal/mol:

-234.7

Dipole, Da:

6.99

IP(EA), eV:

 -8.83(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations