Geometry & MOs

Info

ID:	364626
PubChem CID:	127315909
Reduced:	NSO3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	305.111936
ΔH_f, kcal/mol:	-104.3
Dipole, Da:	3.5
IP(EA), eV:	-9.5(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)thiane-4-carboxamide

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C)N(C1CC1)C(=O)C2=CC=CC3=C2CCC3

DOS

IR

Vibrations