Geometry & MOs

Info

ID:	125421
PubChem CID:	50923531
Reduced:	OSCl2N3H13C16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	421.04284
ΔH_f, kcal/mol:	19.18
Dipole, Da:	2.28
IP(EA), eV:	-9.23(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2-methoxy-4-[4-(3,4,5-trimethoxyphenyl)-2H-1,2-selenazol-5-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C(=O)NSC2=NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations