Geometry & MOs

Info

ID:	131032
PubChem CID:	51147610
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-36.61
Dipole, Da:	2.34
IP(EA), eV:	-9.21(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations