Geometry & MOs

Info

ID:

41625

PubChem CID:

8146622

Reduced:

S2N4C19H23 (1)

Stoich.:

A2B4C19D23 (1)

Weight, g/mol:

313.135231

ΔHf, kcal/mol:

80.57

Dipole, Da:

5.26

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763449

Charge, e:

 1

Chem-info

IUPAC name:

benzyl-ethyl-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC[NH+](CC1=CC=CC=C1)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)C

DOS

IR

Vibrations