Geometry & MOs

Info

ID:	337230
PubChem CID:	127256795
Reduced:	N2O3S3H16C17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-60.21
Dipole, Da:	4.64
IP(EA), eV:	-8.35(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1-oxopropan-2-yl) 2H-1,3-benzoxazole-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C\C=C/2\N(C3=CC=CC=C3S2)CCC(=O)O)/SC1=S

DOS

IR

Vibrations