Geometry & MOs

Info

ID:	166639
PubChem CID:	74719628
Reduced:	N2S2O6C17H17 (1)
Stoich.:	A2B2C6D17E17 (1)
Weight, g/mol:	347.011599
ΔH_f, kcal/mol:	-155.18
Dipole, Da:	3.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779646
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzoxazol-2-ylmethyl 3-(3,4-dichlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)N2C3CS(=O)(=O)CC3SC2=NC(=O)CCC(=O)[O-]

DOS

IR

Vibrations