Geometry & MOs

Info

ID:	271757
PubChem CID:	103691078
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	328.12792
ΔH_f, kcal/mol:	-92.75
Dipole, Da:	4.15
IP(EA), eV:	-8.78(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxycyclohexyl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)C2CSC3=CC=CC=C23

DOS

IR

Vibrations