Geometry & MOs

Info

ID:	347371
PubChem CID:	127272220
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	6.47
Dipole, Da:	4.79
IP(EA), eV:	-8.32(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]-2,3-dihydro-1H-inden-2-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=C(C=C2)CNC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations