Geometry & MOs

Info

ID:	32146
PubChem CID:	4266383
Reduced:	N2S2O3C29H32 (1)
Stoich.:	A2B2C3D29E32 (1)
Weight, g/mol:	406.138485
ΔH_f, kcal/mol:	-54.67
Dipole, Da:	6.1
IP(EA), eV:	-8.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[ethylsulfonyl(prop-2-enyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(C(C)(C)C)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations