Geometry & MOs

Info

ID:	25931
PubChem CID:	634238
Reduced:	N2O9C24H34 (1)
Stoich.:	A2B9C24D34 (1)
Weight, g/mol:	409.025407
ΔH_f, kcal/mol:	-421.4
Dipole, Da:	2.96
IP(EA), eV:	-10.37(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2,4-difluorophenyl)sulfonylamino]-5-phenylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC12CC(=O)N3C(C1(NC(=O)C2CCC(=O)OC)C)C(C(C3=O)(C)CCC(=O)OC)CC(=O)OC

DOS

IR

Vibrations