Geometry & MOs

Info

ID:	342399
PubChem CID:	127265222
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	-69.94
Dipole, Da:	2.67
IP(EA), eV:	-8.61(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)but-2-enamide

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C)CNC(=O)C=CC2=CC(=C(C=C2)OC)O

DOS

IR

Vibrations