Geometry & MOs

Info

ID:

93770

PubChem CID:

49996586

Reduced:

O5N6C42H60 (1)

Stoich.:

A5B6C42D60 (1)

Weight, g/mol:

708.399919

ΔHf, kcal/mol:

-256.24

Dipole, Da:

8.19

IP(EA), eV:

 -8.85(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations