Geometry & MOs

Info

ID:	134580
PubChem CID:	51716034
Reduced:	SCl2N3O5H16C17 (1)
Stoich.:	AB2C3D5E16F17 (1)
Weight, g/mol:	414.215472
ΔH_f, kcal/mol:	-134.04
Dipole, Da:	3.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.090348
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-triethoxy-N'-[(2R)-2-phenylbutanoyl]benzohydrazide

Drug info:

PubChemData

Smile

CCOC(=O)NNC(=O)CC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations