Geometry & MOs

Info

ID:	32771
PubChem CID:	7848181
Reduced:	SN3O5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	356.140593
ΔH_f, kcal/mol:	-67.86
Dipole, Da:	4.91
IP(EA), eV:	-9.01(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-5-(methylcarbamoyl)-4-(4-methylpentanoyloxymethyl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

DOS

IR

Vibrations