Geometry & MOs

Info

ID:	150017
PubChem CID:	53789702
Reduced:	OC3H6 (4)
Stoich.:	AB3C6 (4)
Weight, g/mol:	403.099063
ΔH_f, kcal/mol:	-111.31
Dipole, Da:	2.39
IP(EA), eV:	-9.88(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(3-nitrophenyl)methylidene]-3-phenylcyclohexa-1,3-dien-1-yl]amino]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC(C)(C)CCCC(=O)OOOC(C)(C)C

DOS

IR

Vibrations