Geometry & MOs

Info

ID:	123826
PubChem CID:	50862819
Reduced:	N3O3C29H35 (1)
Stoich.:	A3B3C29D35 (1)
Weight, g/mol:	413.213698
ΔH_f, kcal/mol:	-116.96
Dipole, Da:	6.45
IP(EA), eV:	-8.01(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-2-sulfanylidene-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=CC(=C4C)C)C(CC1(C)C)C

DOS

IR

Vibrations