Geometry & MOs

Info

ID:	194412
PubChem CID:	78531943
Reduced:	SN2O3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	347.038292
ΔH_f, kcal/mol:	-55.63
Dipole, Da:	2.19
IP(EA), eV:	-9.18(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)OCC(=O)NC(C)C3=CC=CC=C3

DOS

IR

Vibrations