Geometry & MOs

Info

ID:	292298
PubChem CID:	114916173
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	309.049336
ΔH_f, kcal/mol:	-100.26
Dipole, Da:	2.25
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-ethylthiophene-2-carbonyl)amino]-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(SC=C2C)C(=O)OC)C

DOS

IR

Vibrations