Geometry & MOs

Info

ID:	39042
PubChem CID:	8138417
Reduced:	SF2O2N3H17C20 (1)
Stoich.:	AB2C2D3E17F20 (1)
Weight, g/mol:	399.080826
ΔH_f, kcal/mol:	-87.61
Dipole, Da:	3.31
IP(EA), eV:	-9.16(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CSC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

DOS

IR

Vibrations