Geometry & MOs

Info

ID:	342418
PubChem CID:	127265243
Reduced:	NSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	2.66
IP(EA), eV:	-8.82(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-3,3-dimethylbutyl)-3-(3-hydroxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CSCCNC(=O)C=CC1=CC(=CC=C1)O

DOS

IR

Vibrations