Geometry & MOs

Info

ID:	328214
PubChem CID:	126697686
Reduced:	BrNSO4H16C17 (1)
Stoich.:	ABCD4E16F17 (1)
Weight, g/mol:	290.070972
ΔH_f, kcal/mol:	-121.47
Dipole, Da:	2.48
IP(EA), eV:	-8.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-phenylmethoxyethoxy)benzaldehyde

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1C(=O)OC)Br)SC2=CC=CC=C2C(=O)OC)N

DOS

IR

Vibrations