Geometry & MOs

Info

ID:	337231
PubChem CID:	127256796
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	287.061614
ΔH_f, kcal/mol:	-128.31
Dipole, Da:	2.77
IP(EA), eV:	-8.98(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-sulfanylidenecyclohexa-1,3-dien-1-yl)methyl 2H-1,3-benzoxazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C=O)OC(=O)N1COC2=CC=CC=C21

DOS

IR

Vibrations