Geometry & MOs

Info

ID:	62222
PubChem CID:	26718411
Reduced:	N4O5H18C23 (1)
Stoich.:	A4B5C18D23 (1)
Weight, g/mol:	429.092932
ΔH_f, kcal/mol:	-80.03
Dipole, Da:	4.25
IP(EA), eV:	-8.55(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]propanoyl]pyridine-2-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NNC(=O)C4=CC=CC=N4

DOS

IR

Vibrations