Geometry & MOs

Info

ID:	171456
PubChem CID:	75378916
Reduced:	ClSO2N4C11H11 (1)
Stoich.:	ABC2D4E11F11 (1)
Weight, g/mol:	394.04923
ΔH_f, kcal/mol:	4.36
Dipole, Da:	6.99
IP(EA), eV:	-8.53(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-N-(2,4-difluorophenyl)-2-pyrrolidin-1-ylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N)NCC2=C(SN=N2)Cl

DOS

IR

Vibrations