Geometry & MOs

Info

ID:

112238

PubChem CID:

50399504

Reduced:

F2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-254.39

Dipole, Da:

4.76

IP(EA), eV:

 -9.05(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-[(2-methylcyclohexyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)N(C)C)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations