Geometry & MOs

Info

ID:	338432
PubChem CID:	127259124
Reduced:	ClNSO2H12C17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	205.073893
ΔH_f, kcal/mol:	-13.95
Dipole, Da:	1.47
IP(EA), eV:	-8.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl)methoxymethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC2=C1N=C(C=C2)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations