Geometry & MOs

Info

ID:	421292
PubChem CID:	135115729
Reduced:	ClSO2N3C15H18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	426.226705
ΔH_f, kcal/mol:	-40.51
Dipole, Da:	3.04
IP(EA), eV:	-8.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R)-18,19-dimethoxy-9-(2-methylpropyl)-4,8,11,14-tetrazatricyclo[14.3.1.12,6]henicosa-1(19),2(21),3,5,16(20),17-hexaene-7,10-dione

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)C(=O)CSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations