Geometry & MOs

Info

ID:	218665
PubChem CID:	85089782
Reduced:	FO2N5H24C29 (1)
Stoich.:	AB2C5D24E29 (1)
Weight, g/mol:	493.294057
ΔH_f, kcal/mol:	66.3
Dipole, Da:	12.8
IP(EA), eV:	-9.09(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(1-anilino-4-cyclohexyl-1-oxobutan-2-yl)amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=NC(=NC(=O)C2C=C1CN(CC#C)C3=CC(=C(C=C3)C(=O)NCC4=CC(=CC=C4)C#N)F)C

DOS

IR

Vibrations