Geometry & MOs

Info

ID:	38969
PubChem CID:	8138265
Reduced:	SN2O3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	323.022832
ΔH_f, kcal/mol:	-24.55
Dipole, Da:	3.31
IP(EA), eV:	-9.33(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CC1NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations