Geometry & MOs

Info

ID:	243398
PubChem CID:	99222751
Reduced:	S2N3O4C21H23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	450.08042
ΔH_f, kcal/mol:	-75.93
Dipole, Da:	1.98
IP(EA), eV:	-9.15(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-2-iodo-N-[(1R)-1-(4-propylphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCN(C1=CN=C(C=C1)OC)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CS3

DOS

IR

Vibrations