Geometry & MOs

Info

ID:	35988
PubChem CID:	7980601
Reduced:	NO2S2H21C23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	399.077658
ΔH_f, kcal/mol:	-5.54
Dipole, Da:	4.12
IP(EA), eV:	-8.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-amino-3-(naphthalene-2-carbonyloxymethyl)thiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4SCCS4

DOS

IR

Vibrations