Geometry & MOs

Info

ID:	416936
PubChem CID:	135090828
Reduced:	N3O4C15H17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	-85.04
Dipole, Da:	4.18
IP(EA), eV:	-9.75(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC(=CN=C3)O

DOS

IR

Vibrations