Geometry & MOs

Info

ID:	265003
PubChem CID:	103506995
Reduced:	SN3O3C14H23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	-148.11
Dipole, Da:	7.58
IP(EA), eV:	-8.36(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-5-cyano-2-(4-methylpentylamino)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations