Geometry & MOs

Info

ID:	160465
PubChem CID:	57309813
Reduced:	N2O3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	394.131091
ΔH_f, kcal/mol:	1.73
Dipole, Da:	1.75
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(diaminomethylidenecarbamoyl)-9-methyl-12-oxo-1-azatricyclo[6.5.1.04,14]tetradeca-5,7,10-trien-11-yl] methanesulfonate

Drug info:

PubChemData

Smile

CCC(C)N=NCC1C(C1(C)C)C(=O)OCC2=C(OC(=C2)CC3=CC=CC=C3)C#C

DOS

IR

Vibrations