Geometry & MOs

Info

ID:	291974
PubChem CID:	113999559
Reduced:	SN2O2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	288.187149
ΔH_f, kcal/mol:	-54.4
Dipole, Da:	3.86
IP(EA), eV:	-8.87(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxybutan-2-ylsulfanyl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C(=N/O)/N)CSC(C)C(C)O

DOS

IR

Vibrations