Geometry & MOs

Info

ID:	57753
PubChem CID:	24277006
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	252.129634
ΔH_f, kcal/mol:	-32.68
Dipole, Da:	3.18
IP(EA), eV:	-8.45(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-2-(4-propoxyphenyl)ethanethioamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C(=S)N)N2CCNCC2)OC

DOS

IR

Vibrations