Geometry & MOs

Info

ID:	63807
PubChem CID:	26759228
Reduced:	ClNS2O5C16H20 (1)
Stoich.:	ABC2D5E16F20 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-203.09
Dipole, Da:	5.85
IP(EA), eV:	-8.73(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(3-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations