Geometry & MOs

Info

ID:	204718
PubChem CID:	79999820
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	272.061949
ΔH_f, kcal/mol:	-119.45
Dipole, Da:	3.96
IP(EA), eV:	-9.63(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfinylmethyl)-1,3-benzoxazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NCC2(CCCC2)C)/C=C/C(=O)O

DOS

IR

Vibrations