Geometry & MOs

Info

ID:	135284
PubChem CID:	51845517
Reduced:	N2O3C31H36 (1)
Stoich.:	A2B3C31D36 (1)
Weight, g/mol:	514.319543
ΔH_f, kcal/mol:	-73.37
Dipole, Da:	7.88
IP(EA), eV:	-9.35(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-(N-[(2S)-2-methoxy-2-phenylacetyl]anilino)-3-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)[C@H](C(=O)NC2CCCCC2)N(C3=CC=CC=C3)C(=O)[C@H](C4=CC=CC=C4)OC

DOS

IR

Vibrations