Geometry & MOs

Info

ID:	373174
PubChem CID:	131311065
Reduced:	ClNSF3H5O5C7 (1)
Stoich.:	ABCD3E5F5G7 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-332.02
Dipole, Da:	4.64
IP(EA), eV:	-10.1(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(NC(=O)C=C1S(=O)(=O)Cl)OC(F)(F)F

DOS

IR

Vibrations