Geometry & MOs

Info

ID:	419662
PubChem CID:	135108677
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-45.75
Dipole, Da:	3.8
IP(EA), eV:	-8.98(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-methyl-5-[[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN2CCC[C@]3([C@H]2CN(CC3)CC4=C(N=CS4)C)CO

DOS

IR

Vibrations