Geometry & MOs

Info

ID:	198720
PubChem CID:	79141242
Reduced:	SN3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	82.49
Dipole, Da:	4.36
IP(EA), eV:	-8.39(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-2-methylphenyl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N)SCC2=C(N=CC=C2)C#N

DOS

IR

Vibrations