Geometry & MOs

Info

ID:	117006
PubChem CID:	50584648
Reduced:	ClSO4N7C27H36 (1)
Stoich.:	ABC4D7E27F36 (1)
Weight, g/mol:	609.271797
ΔH_f, kcal/mol:	-139.8
Dipole, Da:	8.83
IP(EA), eV:	-8.94(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-acetylanilino)-3-oxopropyl]-1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations