Geometry & MOs

Info

ID:	401551
PubChem CID:	135051611
Reduced:	ClNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	507.142187
ΔH_f, kcal/mol:	-69.21
Dipole, Da:	4.19
IP(EA), eV:	-8.82(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[benzyl(diphenylphosphorylmethyl)amino]phenyl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C(=O)CCl)N)OC

DOS

IR

Vibrations