Geometry & MOs

Info

ID:	73823
PubChem CID:	48420580
Reduced:	N3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	366.103814
ΔH_f, kcal/mol:	-83.28
Dipole, Da:	5.73
IP(EA), eV:	-9.75(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 2-(thiophene-2-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CN1C=C(C(=O)N(C1=O)C)/C=C/C(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations