Geometry & MOs

Info

ID:	203867
PubChem CID:	79885982
Reduced:	BrSN2O3C14H17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	204.102941
ΔH_f, kcal/mol:	-72.57
Dipole, Da:	5.85
IP(EA), eV:	-8.69(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcarbamoyl chloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)S(=O)(=O)N(C)CC2=CC=C(O2)Br)C)N

DOS

IR

Vibrations