Geometry & MOs

Info

ID:	421792
PubChem CID:	135116623
Reduced:	ON2F3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	380.126674
ΔH_f, kcal/mol:	-185.65
Dipole, Da:	7.9
IP(EA), eV:	-8.72(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-(tetrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC(=CC2=N1)C(F)(F)F)N3CCC[C@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations