Geometry & MOs

Info

ID:	302387
PubChem CID:	124361553
Reduced:	O3N4C27H36 (1)
Stoich.:	A3B4C27D36 (1)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	-121.84
Dipole, Da:	3.68
IP(EA), eV:	-8.72(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2R)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](C(C)C)NC(=O)C2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)N

DOS

IR

Vibrations