Geometry & MOs

Info

ID:	266629
PubChem CID:	103576304
Reduced:	N2O2S2C11H18 (1)
Stoich.:	A2B2C2D11E18 (1)
Weight, g/mol:	296.155849
ΔH_f, kcal/mol:	-81.51
Dipole, Da:	6.62
IP(EA), eV:	-9.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1CN(CC1N)S(=O)(=O)C2=C(SC(=C2)C)C

DOS

IR

Vibrations