Geometry & MOs

Info

ID:	265009
PubChem CID:	103507023
Reduced:	SO2N3C15H25 (1)
Stoich.:	AB2C3D15E25 (1)
Weight, g/mol:	269.10204
ΔH_f, kcal/mol:	-74.34
Dipole, Da:	5.71
IP(EA), eV:	-8.21(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(4-methylpentylamino)-4-methylsulfanylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CCCNC1=C(C(=C(S1)C(=O)NCC=C)N)OC

DOS

IR

Vibrations