Geometry & MOs

Info

ID:	190003
PubChem CID:	77939556
Reduced:	ClFO2N5C20H27 (1)
Stoich.:	ABC2D5E20F27 (1)
Weight, g/mol:	365.086784
ΔH_f, kcal/mol:	-89.92
Dipole, Da:	7.11
IP(EA), eV:	-8.85(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]anilino]but-2-enamide

Drug info:

PubChemData

Smile

CN(C)CC=CC(=O)NC1CC2C(CC1=O)NCNC2NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations