Geometry & MOs

Info

ID:	182507
PubChem CID:	76897136
Reduced:	N2S2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	236.119464
ΔH_f, kcal/mol:	-56.61
Dipole, Da:	7.82
IP(EA), eV:	-9.39(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2,2-dimethoxyethyl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CS1)NS(=O)(=O)C2C=CC(=O)N=C2

DOS

IR

Vibrations