Geometry & MOs

Info

ID:

117299

PubChem CID:

50597971

Reduced:

ClO5N6C42H45 (1)

Stoich.:

AB5C6D42E45 (1)

Weight, g/mol:

766.304574

ΔHf, kcal/mol:

-146.85

Dipole, Da:

5.18

IP(EA), eV:

 -8.77(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(4-fluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC=CC=C6)C)Cl

DOS

IR

Vibrations