Geometry & MOs

Info

ID:	138249
PubChem CID:	52333524
Reduced:	ClSO2N3H20C21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	336.077789
ΔH_f, kcal/mol:	-28.82
Dipole, Da:	4.24
IP(EA), eV:	-9.51(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10S,11R)-11-(4-chlorophenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,13,15-hexaene

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2Cl)C(=O)N[C@@H](C)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations