Geometry & MOs

Info

ID:	265000
PubChem CID:	103506920
Reduced:	OSN5C14H23 (1)
Stoich.:	ABC5D14E23 (1)
Weight, g/mol:	302.087118
ΔH_f, kcal/mol:	-18.88
Dipole, Da:	8.66
IP(EA), eV:	-8.33(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[2-(dimethylamino)propylamino]-4-methylsulfonylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=C(S1)NCC(C)N(C)C)C#N)N

DOS

IR

Vibrations