Geometry & MOs

Info

ID:	151156
PubChem CID:	53790856
Reduced:	NI2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	508.018197
ΔH_f, kcal/mol:	-91.7
Dipole, Da:	4.46
IP(EA), eV:	-8.89(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dichloro-6-[[2-[4-[(4-chlorophenyl)methylamino]phenyl]sulfanylacetyl]amino]benzoate

Drug info:

PubChemData

Smile

C[C@](CC1=CC=C(C=C1)O)(C(=O)OI)NI

DOS

IR

Vibrations