Geometry & MOs

Info

ID:	128174
PubChem CID:	51033589
Reduced:	F2O3N4C24H32 (1)
Stoich.:	A2B3C4D24E32 (1)
Weight, g/mol:	616.343627
ΔH_f, kcal/mol:	-207.61
Dipole, Da:	2.09
IP(EA), eV:	-9.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCNC(=O)C(C(CC1=CC=CC=C1)N)O)C(=O)CC(CC2=C(C=CC(=C2)F)F)N

DOS

IR

Vibrations