Geometry & MOs

Info

ID:	61410
PubChem CID:	26708990
Reduced:	ClN2O2H23C26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	406.144806
ΔH_f, kcal/mol:	-19.12
Dipole, Da:	5.76
IP(EA), eV:	-8.67(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)N[C@@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations