Geometry & MOs

Info

ID:	418690
PubChem CID:	135106571
Reduced:	O2N7C17H19 (1)
Stoich.:	A2B7C17D19 (1)
Weight, g/mol:	358.119858
ΔH_f, kcal/mol:	43.7
Dipole, Da:	4.37
IP(EA), eV:	-9.5(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-5-methoxybenzamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)CN2C(=NN=N2)N)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations