Geometry & MOs

Info

ID:	134686
PubChem CID:	51738625
Reduced:	SN2O5C27H34 (1)
Stoich.:	AB2C5D27E34 (1)
Weight, g/mol:	390.207406
ΔH_f, kcal/mol:	-162.0
Dipole, Da:	12.29
IP(EA), eV:	-9.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z,2S)-1-(tert-butylamino)-1-oxopent-3-en-2-yl]-2-chloro-N-cyclohexylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@@H](C2=CC=C(C=C2)OC)N(C3CCCCC3)C(=O)C(=C)C

DOS

IR

Vibrations