Geometry & MOs

Info

ID:

109829

PubChem CID:

50298729

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-190.93

Dipole, Da:

3.92

IP(EA), eV:

 -8.95(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(cyclohexylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)C(=O)NC(C)C

DOS

IR

Vibrations