Geometry & MOs

Info

ID:	276828
PubChem CID:	103825413
Reduced:	NSO2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-91.98
Dipole, Da:	2.53
IP(EA), eV:	-8.7(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-hydroxy-2,2-dimethylbutyl)-3-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1CSC2=CC=CC=C12

DOS

IR

Vibrations