Geometry & MOs

Info

ID:	379613
PubChem CID:	134450574
Reduced:	FN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	426.124943
ΔH_f, kcal/mol:	-115.85
Dipole, Da:	4.84
IP(EA), eV:	-9.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl [(3R)-3-(1-methylimidazol-2-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonylformate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)OC2C[C@@H]3CN(C[C@@H]3C2)CC(=O)C4=NC=C(C=C4)O

DOS

IR

Vibrations