Geometry & MOs

Info

ID:	297858
PubChem CID:	117634087
Reduced:	S3N7O7C29H39 (1)
Stoich.:	A3B7C7D29E39 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-206.62
Dipole, Da:	6.91
IP(EA), eV:	-9.11(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-hydroxyphenyl)hydrazinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCCON1C(=CC=C(C1=O)C(=O)N2CCC[C@H]2S)C(=O)NCCNCCN[C@@H](C3=CC=C(NC3=O)C(=O)N4CCSC4=S)O

DOS

IR

Vibrations