Geometry & MOs

Info

ID:	194435
PubChem CID:	78535250
Reduced:	NO2C7H7 (3)
Stoich.:	AB2C7D7 (3)
Weight, g/mol:	380.10823
ΔH_f, kcal/mol:	-183.65
Dipole, Da:	7.2
IP(EA), eV:	-8.66(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 3-(6-methoxynaphthalen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CN1C(C(C(=O)NC1=O)C(=O)COC(=O)C=CC2=CC3=C(C=C2)C=C(C=C3)OC)N

DOS

IR

Vibrations