Geometry & MOs

Info

ID:	344181
PubChem CID:	127267357
Reduced:	FNO2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	334.08097
ΔH_f, kcal/mol:	-86.94
Dipole, Da:	4.25
IP(EA), eV:	-9.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzylsulfanyl-1,3-oxazol-4-yl)-(1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1C(CC1O)C(=O)NC(C2=CC=CC=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations