Geometry & MOs

Info

ID:	264995
PubChem CID:	103506645
Reduced:	S2N3O3C13H19 (1)
Stoich.:	A2B3C3D13E19 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-133.93
Dipole, Da:	6.54
IP(EA), eV:	-8.35(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetyl-4-amino-2-(3,4-dimethylpyrrolidin-1-yl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1(CN(CCS1)C2=C(C(=C(S2)C(=O)N)N)C(=O)OC)C

DOS

IR

Vibrations