Geometry & MOs

Info

ID:	163044
PubChem CID:	57581465
Reduced:	N2O6C35H36 (1)
Stoich.:	A2B6C35D36 (1)
Weight, g/mol:	375.150429
ΔH_f, kcal/mol:	-169.58
Dipole, Da:	2.22
IP(EA), eV:	-8.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylthiophen-2-yl]propanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CC(=CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)CCC(=O)OC)OCC

DOS

IR

Vibrations