Geometry & MOs

Info

ID:

116833

PubChem CID:

50577114

Reduced:

Cl2O5N6C29H36 (1)

Stoich.:

A2B5C6D29E36 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-220.21

Dipole, Da:

4.87

IP(EA), eV:

 -8.96(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[3-[4-(methylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C(=O)N)Cl)Cl

DOS

IR

Vibrations