Geometry & MOs

Info

ID:	62240
PubChem CID:	26718517
Reduced:	SN4O5H16C19 (1)
Stoich.:	AB4C5D16E19 (1)
Weight, g/mol:	441.11069
ΔH_f, kcal/mol:	-28.94
Dipole, Da:	6.61
IP(EA), eV:	-9.13(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N'-(3-nitrobenzoyl)-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations