Geometry & MOs

Info

ID:

111506

PubChem CID:

50370472

Reduced:

N3O3C18H25 (2)

Stoich.:

A3B3C18D25 (2)

Weight, g/mol:

704.426134

ΔHf, kcal/mol:

-271.33

Dipole, Da:

4.39

IP(EA), eV:

 -8.36(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-methoxy-4-(2-methylbutanoylamino)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C)OC)C

DOS

IR

Vibrations