Geometry & MOs

Info

ID:	383203
PubChem CID:	134974791
Reduced:	NSO9C21H25 (1)
Stoich.:	ABC9D21E25 (1)
Weight, g/mol:	435.168188
ΔH_f, kcal/mol:	-371.17
Dipole, Da:	5.61
IP(EA), eV:	-9.14(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[(E)-1-(hydroxyamino)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enylidene]-3,5-dimethoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(C(C1OC(=O)C)OC(=O)C)COC(=O)C)SC2=CC(=O)C=CC2=O

DOS

IR

Vibrations