Geometry & MOs

Info

ID:	419416
PubChem CID:	135108135
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	358.119858
ΔH_f, kcal/mol:	7.74
Dipole, Da:	1.64
IP(EA), eV:	-9.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34)C

DOS

IR

Vibrations