Geometry & MOs

Info

ID:	217027
PubChem CID:	85087135
Reduced:	NSO5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	325.077265
ΔH_f, kcal/mol:	-207.76
Dipole, Da:	3.82
IP(EA), eV:	-8.91(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(hydroxyamino)methylidene]-4-(3-hydroxyphenyl)-3-methylthiophen-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCC2C(CC(S2)OC)OC(=O)N

DOS

IR

Vibrations