Geometry & MOs

Info

ID:	159869
PubChem CID:	57288838
Reduced:	PSN3O6C10H22 (1)
Stoich.:	ABC3D6E10F22 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-346.3
Dipole, Da:	8.85
IP(EA), eV:	-8.44(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6aR,10aR)-9-(diethylcarbamoylamino)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(C(C(=O)O)P(=O)(O)O)NC(=O)[C@H](CCSC)N)N

DOS

IR

Vibrations