Geometry & MOs

Info

ID:	38973
PubChem CID:	8138274
Reduced:	SN3O3H15C19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	352.98336
ΔH_f, kcal/mol:	-5.13
Dipole, Da:	4.23
IP(EA), eV:	-9.48(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-bromophenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)[C@@H](C)OC(=O)C3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations