Geometry & MOs

Info

ID:

112214

PubChem CID:

50398648

Reduced:

Cl2O4N5C29H37 (1)

Stoich.:

A2B4C5D29E37 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-170.88

Dipole, Da:

10.85

IP(EA), eV:

 -8.79(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations