Geometry & MOs

Info

ID:	134813
PubChem CID:	51762475
Reduced:	SN2O4C28H38 (1)
Stoich.:	AB2C4D28E38 (1)
Weight, g/mol:	386.270006
ΔH_f, kcal/mol:	-153.8
Dipole, Da:	4.8
IP(EA), eV:	-8.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-chloroacetyl)-hexylamino]-N-cyclohexylheptanamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=C(C=C1)C)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C=C(C)C

DOS

IR

Vibrations