Geometry & MOs

Info

ID:	281615
PubChem CID:	103914123
Reduced:	OSN3C15H29 (1)
Stoich.:	ABC3D15E29 (1)
Weight, g/mol:	348.208279
ΔH_f, kcal/mol:	-68.28
Dipole, Da:	4.11
IP(EA), eV:	-8.61(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(1-ethylsulfonylpropan-2-ylamino)cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCC(CC1)NC2CCCCC2SC

DOS

IR

Vibrations