Geometry & MOs

Info

ID:	273378
PubChem CID:	103770991
Reduced:	N2O2S2C15H20 (1)
Stoich.:	A2B2C2D15E20 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-58.2
Dipole, Da:	2.25
IP(EA), eV:	-9.07(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethylsulfanyl)-N-(2-hydroxy-4-methylpentyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CC1=CSC(=N1)C2=CC=CS2)O

DOS

IR

Vibrations