Geometry & MOs

Info

ID:	422510
PubChem CID:	135117958
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-105.5
Dipole, Da:	7.06
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(6,7,8,9-tetrahydro-5H-carbazole-2-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CN4CC[C@@H]([C@H](C4)C(=O)O)O)N

DOS

IR

Vibrations