Geometry & MOs

Info

ID:	159925
PubChem CID:	57298691
Reduced:	S2N5O5C17H27 (1)
Stoich.:	A2B5C5D17E27 (1)
Weight, g/mol:	412.283826
ΔH_f, kcal/mol:	-133.45
Dipole, Da:	3.87
IP(EA), eV:	-8.87(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6aR,10aR)-5-(methoxymethyl)-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl]-1,1-diethylurea

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CC=C1)OCCCNC2=NS(=O)(=O)C(C2=N)S(=O)(=O)N(C)C

DOS

IR

Vibrations