Geometry & MOs

Info

ID:	38857
PubChem CID:	8138063
Reduced:	SN4O5C18H20 (1)
Stoich.:	AB4C5D18E20 (1)
Weight, g/mol:	392.115441
ΔH_f, kcal/mol:	-108.93
Dipole, Da:	4.69
IP(EA), eV:	-9.48(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations