Geometry & MOs

Info

ID:

168434

PubChem CID:

74967534

Reduced:

SN5O5C24H32 (2)

Stoich.:

AB5C5D24E32 (2)

Weight, g/mol:

335.08975

ΔHf, kcal/mol:

-320.61

Dipole, Da:

6.07

IP(EA), eV:

 -7.45(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-chloroethyl)-4-oxo-N'-phenyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbohydrazide

Drug info:

PubChemData

Smile

CC(C1C(=O)NC(CSSC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O

DOS

IR

Vibrations