Geometry & MOs

Info

ID:	52159
PubChem CID:	12014954
Reduced:	NSO5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	379.108959
ΔH_f, kcal/mol:	-149.7
Dipole, Da:	6.76
IP(EA), eV:	-9.16(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-prop-2-enoyloxyethoxy)ethyl 3-(4-methoxyphenyl)-2-thiocyanatopropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C(=O)OCCOCCOC(=O)C=C)SC#N

DOS

IR

Vibrations