Geometry & MOs

Info

ID:	166575
PubChem CID:	74711227
Reduced:	N2S2O4C17H17 (1)
Stoich.:	A2B2C4D17E17 (1)
Weight, g/mol:	407.119129
ΔH_f, kcal/mol:	-101.09
Dipole, Da:	4.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764190
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-(5-phenylthiophen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCC(C(=O)[O-])NC(=O)CN1C(=O)C(=CC2=CC=CC=C2)SC1=S

DOS

IR

Vibrations