Geometry & MOs

Info

ID:	188733
PubChem CID:	77760628
Reduced:	N7O7C26H35 (1)
Stoich.:	A7B7C26D35 (1)
Weight, g/mol:	244.055801
ΔH_f, kcal/mol:	-245.7
Dipole, Da:	9.63
IP(EA), eV:	-9.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-thiophen-2-ylethenyl)phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)N(CC(C(=O)O)NC(=O)OCC1=CC=CC=C1)N2C(=O)C(NC2=O)CCCNC3=NC4CCCCC4N3

DOS

IR

Vibrations