Geometry & MOs

Info

ID:	119639
PubChem CID:	50694846
Reduced:	ClSO4N7C27H36 (1)
Stoich.:	ABC4D7E27F36 (1)
Weight, g/mol:	595.292532
ΔH_f, kcal/mol:	-149.75
Dipole, Da:	6.68
IP(EA), eV:	-9.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(3,4-dimethylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations