Geometry & MOs

Info

ID:	90005
PubChem CID:	49965785
Reduced:	S2N3O4H17C18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	527.215532
ΔH_f, kcal/mol:	-118.43
Dipole, Da:	4.41
IP(EA), eV:	-8.95(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3E,5E)-4-oxo-3,5-bis[(2,4,5-trimethoxyphenyl)methylidene]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C(=O)N

DOS

IR

Vibrations