Geometry & MOs

Info

ID:	79725
PubChem CID:	49830159
Reduced:	O3N4C22H35 (1)
Stoich.:	A3B4C22D35 (1)
Weight, g/mol:	407.097349
ΔH_f, kcal/mol:	-111.83
Dipole, Da:	4.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758935
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[3-(cyclopropylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

DOS

IR

Vibrations