Geometry & MOs

Info

ID:	160298
PubChem CID:	57309645
Reduced:	N2O4H26C29 (1)
Stoich.:	A2B4C26D29 (1)
Weight, g/mol:	444.255898
ΔH_f, kcal/mol:	-91.11
Dipole, Da:	4.29
IP(EA), eV:	-8.21(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6aR,10aR)-2-(hydroxymethyl)-5-methylsulfanyl-7-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl]-1,1-diethylurea

Drug info:

PubChemData

Smile

CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(=O)CCCC(=O)OCC5=CC=CC=C5)C

DOS

IR

Vibrations