Geometry & MOs

Info

ID:	41598
PubChem CID:	8146424
Reduced:	OSN5H9C13 (1)
Stoich.:	ABC5D9E13 (1)
Weight, g/mol:	394.195309
ΔH_f, kcal/mol:	91.13
Dipole, Da:	6.42
IP(EA), eV:	-9.38(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclopropyl-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC3=CC(=O)N4C=CSC4=N3

DOS

IR

Vibrations