Geometry & MOs

Info

ID:	68537
PubChem CID:	46508608
Reduced:	FSN2O3C24H27 (1)
Stoich.:	ABC2D3E24F27 (1)
Weight, g/mol:	409.076613
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	1.25
IP(EA), eV:	-8.23(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC(=C(C=C1)OC)OC)CC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

DOS

IR

Vibrations