Geometry & MOs

Info

ID:	243785
PubChem CID:	99239589
Reduced:	SN3O5C25H35 (1)
Stoich.:	AB3C5D25E35 (1)
Weight, g/mol:	487.126935
ΔH_f, kcal/mol:	-202.08
Dipole, Da:	11.64
IP(EA), eV:	-9.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NCC2=CC=CC=C2S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations