Geometry & MOs

Info

ID:	443192
PubChem CID:	135258055
Reduced:	FNOC3H8 (1)
Stoich.:	ABCD3E8 (1)
Weight, g/mol:	649.25702
ΔH_f, kcal/mol:	-109.97
Dipole, Da:	2.25
IP(EA), eV:	-10.07(1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-3-hydroxy-1-[[(2S)-4-[4-[1-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)ethyl]phenyl]-1-[(4-methylphenyl)methylamino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(N)(OC)F

DOS

IR

Vibrations