Geometry & MOs

Info

ID:

115574

PubChem CID:

50527598

Reduced:

Cl2O5N6C30H38 (1)

Stoich.:

A2B5C6D30E38 (1)

Weight, g/mol:

674.275024

ΔHf, kcal/mol:

-224.74

Dipole, Da:

7.99

IP(EA), eV:

 -8.86(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(diethylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC)Cl

DOS

IR

Vibrations