Geometry & MOs

Info

ID:

117760

PubChem CID:

50614301

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-211.53

Dipole, Da:

10.04

IP(EA), eV:

 -8.99(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)N5CCC(CC5)C)Cl

DOS

IR

Vibrations