Geometry & MOs

Info

ID:	361544
PubChem CID:	127303736
Reduced:	OSN5C13H15 (1)
Stoich.:	ABC5D13E15 (1)
Weight, g/mol:	370.121195
ΔH_f, kcal/mol:	76.67
Dipole, Da:	6.08
IP(EA), eV:	-9.9(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NC(=CS2)C(=O)NCC3=NN=CN3C4CC4

DOS

IR

Vibrations