Geometry & MOs

Info

ID:	83780
PubChem CID:	49861316
Reduced:	ClSO2N3C25H30 (1)
Stoich.:	ABC2D3E25F30 (1)
Weight, g/mol:	440.90258
ΔH_f, kcal/mol:	-46.84
Dipole, Da:	7.61
IP(EA), eV:	-8.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-amino-7,8-dibromo-5-hydroxy-2,4,6,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-3,7,9-trien-11-one;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CCNC[C@@H](COC3=CC=CC=C3)O.Cl

DOS

IR

Vibrations