Geometry & MOs

Info

ID:	128173
PubChem CID:	51033545
Reduced:	ClINO5H19C25 (1)
Stoich.:	ABCD5E19F25 (1)
Weight, g/mol:	462.244247
ΔH_f, kcal/mol:	-12.09
Dipole, Da:	4.83
IP(EA), eV:	-9.26(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[3-[[3-amino-4-(2,5-difluorophenyl)butanoyl]-methylamino]propyl]-2-hydroxy-4-phenylbutanamide

Drug info:

PubChemData

Smile

C=CCC1=C2C(=CC=C1)C(=O)C(C(O2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)I)([N+](=O)[O-])Cl

DOS

IR

Vibrations