Geometry & MOs

Info

ID:	415609
PubChem CID:	135088608
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	326.104876
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	4.52
IP(EA), eV:	-9.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CNC1=NOC(=C1C(=O)O)C2=CC=C(C=C2)OC)N(C)C

DOS

IR

Vibrations