Geometry & MOs

Info

ID:	38914
PubChem CID:	8138153
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	406.131091
ΔH_f, kcal/mol:	-71.95
Dipole, Da:	1.87
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCC2=NC(=NC(=N2)N)N

DOS

IR

Vibrations