Geometry & MOs

Info

ID:	403137
PubChem CID:	135058909
Reduced:	ClO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	408.091056
ΔH_f, kcal/mol:	-128.33
Dipole, Da:	4.76
IP(EA), eV:	-9.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (E)-3-[5-chloro-2-[methyl(pyridin-2-ylsulfonyl)amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\1/C2=C(CC(O1)(C)C)C=CC(=C2)Cl

DOS

IR

Vibrations