Geometry & MOs

Info

ID:	295072
PubChem CID:	117514999
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	340.053608
ΔH_f, kcal/mol:	-87.14
Dipole, Da:	4.3
IP(EA), eV:	-8.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethoxy-2-phenylmethoxyphenyl)methanesulfonyl chloride

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC(=C(C=C1)C2CCN(C2)C)Br

DOS

IR

Vibrations