Geometry & MOs

Info

ID:	419137
PubChem CID:	135107585
Reduced:	O5N6C30H38 (1)
Stoich.:	A5B6C30D38 (1)
Weight, g/mol:	340.120526
ΔH_f, kcal/mol:	-173.19
Dipole, Da:	6.97
IP(EA), eV:	-9.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)C3=CN=CC=C3)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations