Geometry & MOs

Info

ID:	171573
PubChem CID:	75395869
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	384.9175
ΔH_f, kcal/mol:	-119.54
Dipole, Da:	6.27
IP(EA), eV:	-8.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl) (2-bromo-4-chlorophenyl)methanesulfonate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(CCCC2)C(=O)C3=CC=CC(=C3)CN4C(=O)CNC4=O

DOS

IR

Vibrations