Geometry & MOs

Info

ID:	128807
PubChem CID:	51058577
Reduced:	ClO4N5C14H24 (1)
Stoich.:	AB4C5D14E24 (1)
Weight, g/mol:	449.08122
ΔH_f, kcal/mol:	-190.79
Dipole, Da:	3.34
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[2-[(Z)-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)NCC(CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CO)O.Cl

DOS

IR

Vibrations