Geometry & MOs

Info

ID:	243401
PubChem CID:	99222754
Reduced:	IN2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	450.08042
ΔH_f, kcal/mol:	-41.56
Dipole, Da:	3.71
IP(EA), eV:	-9.18(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-iodo-N-[(1S)-1-(4-propylphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@@H](C)N(CC(=O)N)C(=O)C2=CC(=CC=C2)I

DOS

IR

Vibrations