Geometry & MOs

Info

ID:	165943
PubChem CID:	74617753
Reduced:	ClN3O5C23H28 (1)
Stoich.:	AB3C5D23E28 (1)
Weight, g/mol:	488.172956
ΔH_f, kcal/mol:	-162.43
Dipole, Da:	4.35
IP(EA), eV:	-8.66(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylpentanoyl]-4-ethoxy-3-methoxybenzohydrazide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NNC(=O)C1=CC(=C(C=C1)OCC)OC)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations