Geometry & MOs

Info

ID:	145068
PubChem CID:	53455211
Reduced:	OS2N4C19H29 (1)
Stoich.:	AB2C4D19E29 (1)
Weight, g/mol:	386.175419
ΔH_f, kcal/mol:	17.3
Dipole, Da:	3.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752198
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1(CC2=C(CO1)SC3=NC(=NC(=C23)N4CC[NH+](CC4)CC)SC)C

DOS

IR

Vibrations