Geometry & MOs

Info

ID:	62138
PubChem CID:	26717725
Reduced:	SN3O3H21C25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	494.100854
ΔH_f, kcal/mol:	-14.81
Dipole, Da:	5.82
IP(EA), eV:	-8.68(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

DOS

IR

Vibrations