Geometry & MOs

Info

ID:	166903
PubChem CID:	74752486
Reduced:	FOSN4C24H24 (1)
Stoich.:	ABCD4E24F24 (1)
Weight, g/mol:	443.159354
ΔH_f, kcal/mol:	50.44
Dipole, Da:	5.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.105887
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=NN=C(N1C2=CC=C(C=C2)F)SCC(=O)C3=CC4=CC=CC=C4C=C3)[NH+](C)C

DOS

IR

Vibrations