Geometry & MOs

Info

ID:	153539
PubChem CID:	56312785
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	400.068213
ΔH_f, kcal/mol:	-15.56
Dipole, Da:	6.8
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-phenylbutyl)acetamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CC1=CSC(=N1)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations