Geometry & MOs

Info

ID:	38912
PubChem CID:	8138149
Reduced:	O2N4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	406.131091
ΔH_f, kcal/mol:	33.91
Dipole, Da:	2.44
IP(EA), eV:	-8.43(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2CC(=O)NNC(=O)C4=CC=CN4

DOS

IR

Vibrations