Geometry & MOs

Info

ID:	62717
PubChem CID:	26736304
Reduced:	S2N3O3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	404.119464
ΔH_f, kcal/mol:	-41.36
Dipole, Da:	6.72
IP(EA), eV:	-8.72(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2-ethoxyphenyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CSCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

DOS

IR

Vibrations