Geometry & MOs

Info

ID:	237173
PubChem CID:	92717752
Reduced:	ClO2N6C23H27 (1)
Stoich.:	AB2C6D23E27 (1)
Weight, g/mol:	443.230788
ΔH_f, kcal/mol:	16.56
Dipole, Da:	10.11
IP(EA), eV:	-9.36(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCC[C@@H](C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations