Geometry & MOs

Info

ID:	284276
PubChem CID:	104039195
Reduced:	SN4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	48.23
Dipole, Da:	2.61
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-(4-hydroxy-3-methylbutan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CSC(=N1)NC2=CC(=NC=C2)N

DOS

IR

Vibrations