Geometry & MOs

Info

ID:	188136
PubChem CID:	77672120
Reduced:	N3O7H21C25 (1)
Stoich.:	A3B7C21D25 (1)
Weight, g/mol:	477.145738
ΔH_f, kcal/mol:	-120.46
Dipole, Da:	8.15
IP(EA), eV:	-8.28(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-ethyl-2-[[2-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyloxy]acetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C=CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations