Geometry & MOs

Info

ID:	38856
PubChem CID:	8138062
Reduced:	SN4O4C19H24 (1)
Stoich.:	AB4C4D19E24 (1)
Weight, g/mol:	404.115441
ΔH_f, kcal/mol:	-106.32
Dipole, Da:	7.51
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations