Geometry & MOs

Info

ID:	259675
PubChem CID:	103171651
Reduced:	NOSC7H9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	311.166748
ΔH_f, kcal/mol:	-58.23
Dipole, Da:	4.46
IP(EA), eV:	-8.63(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3,6-dimethylphenyl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)S(=O)(=O)NCC2=CSC=C2C)N

DOS

IR

Vibrations