Geometry & MOs

Info

ID:	243516
PubChem CID:	99225730
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	428.01524
ΔH_f, kcal/mol:	-173.95
Dipole, Da:	4.94
IP(EA), eV:	-9.75(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-iodo-N-[(2S)-1-(N-methylanilino)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N[C@H](C)C(=O)NC2CCCC2

DOS

IR

Vibrations