Geometry & MOs

Info

ID:	243156
PubChem CID:	99216130
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	391.108959
ΔH_f, kcal/mol:	34.24
Dipole, Da:	3.69
IP(EA), eV:	-8.94(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[3-(2-ethoxy-2-oxoethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)[C@H]3CCCN3C(=O)C4=CN=C(C=C4)NC5CC5

DOS

IR

Vibrations