Geometry & MOs

Info

ID:	417420
PubChem CID:	135093626
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	341.140927
ΔH_f, kcal/mol:	-137.94
Dipole, Da:	3.22
IP(EA), eV:	-8.44(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)CC(=O)NCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations