Geometry & MOs

Info

ID:	202526
PubChem CID:	79682757
Reduced:	ClSN2O2C9H15 (1)
Stoich.:	ABC2D2E9F15 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-74.9
Dipole, Da:	4.37
IP(EA), eV:	-9.07(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydroxypropylsulfanyl)-N-[(4-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Cl)CSCC(CO)O)C

DOS

IR

Vibrations