Geometry & MOs

Info

ID:	30844
PubChem CID:	841999
Reduced:	OSCl2N2H10C15 (1)
Stoich.:	ABC2D2E10F15 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	13.54
Dipole, Da:	1.75
IP(EA), eV:	-9.16(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

DOS

IR

Vibrations