Geometry & MOs

Info

ID:	198998
PubChem CID:	79186910
Reduced:	NOSC7H12 (2)
Stoich.:	ABCD7E12 (2)
Weight, g/mol:	336.046604
ΔH_f, kcal/mol:	-80.61
Dipole, Da:	3.86
IP(EA), eV:	-9.23(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-dichloro-3-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine

Drug info:

PubChemData

Smile

CC1CN(CC1C)S(=O)(=O)C2=CC=C(S2)CNC(C)C

DOS

IR

Vibrations