Geometry & MOs

Info

ID:	265499
PubChem CID:	103525871
Reduced:	S2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	318.070799
ΔH_f, kcal/mol:	54.13
Dipole, Da:	8.19
IP(EA), eV:	-8.29(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-(cyclobutylamino)-4-ethylsulfonylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCNC2=C(C(=C(S2)C#N)N)SC

DOS

IR

Vibrations