Geometry & MOs

Info

ID:

117386

PubChem CID:

50600890

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

635.183288

ΔHf, kcal/mol:

-214.22

Dipole, Da:

3.98

IP(EA), eV:

 -9.12(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,5-dichlorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)Cl

DOS

IR

Vibrations