Geometry & MOs

Info

ID:	234324
PubChem CID:	92298182
Reduced:	N2O7H12C18 (1)
Stoich.:	A2B7C12D18 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	4.68
IP(EA), eV:	-8.96(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(3-methoxyphenyl)methyl]-2-[(2E)-2-[(2-prop-2-enoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=N/C(=C/C3=CC4=C(C=C3)OCO4)/C(=O)O2)[N+](=O)[O-]

DOS

IR

Vibrations