Geometry & MOs

Info

ID:	123689
PubChem CID:	50858728
Reduced:	SN2O2C21H26 (1)
Stoich.:	AB2C2D21E26 (1)
Weight, g/mol:	481.176834
ΔH_f, kcal/mol:	-59.3
Dipole, Da:	6.04
IP(EA), eV:	-8.01(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)C)/C=C/3\C(=O)N(C(=O)S3)CC=C)C)(C)C

DOS

IR

Vibrations