Geometry & MOs

Info

ID:	414977
PubChem CID:	135087957
Reduced:	OSN2C8H10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	301.109627
ΔH_f, kcal/mol:	-18.29
Dipole, Da:	4.86
IP(EA), eV:	-8.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC1=NN=C(S1)NC(=O)CN2CCC(C2)(C3=CC=CC=C3)O

DOS

IR

Vibrations