Geometry & MOs

Info

ID:	49254
PubChem CID:	11532361
Reduced:	OH14C16 (2)
Stoich.:	AB14C16 (2)
Weight, g/mol:	444.252526
ΔH_f, kcal/mol:	197.09
Dipole, Da:	2.72
IP(EA), eV:	-8.19(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(3-phenylanilino)butan-2-yl]pentanamide

Drug info:

PubChemData

Smile

CCCCOC1=CC2=C(C=C1)C(=C(C#C)C#C)C3=C(C2=C(C#C)C#C)C=CC(=C3)OCCCC

DOS

IR

Vibrations