Geometry & MOs

Info

ID:	63118
PubChem CID:	26744301
Reduced:	ClN4O4H17C19 (1)
Stoich.:	AB4C4D17E19 (1)
Weight, g/mol:	383.187878
ΔH_f, kcal/mol:	19.01
Dipole, Da:	3.74
IP(EA), eV:	-9.52(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations