Geometry & MOs

Info

ID:	36720
PubChem CID:	8011787
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	406.119858
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	3.42
IP(EA), eV:	-8.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations