Geometry & MOs

Info

ID:	54102
PubChem CID:	14720147
Reduced:	F2N3O4C21H25 (1)
Stoich.:	A2B3C4D21E25 (1)
Weight, g/mol:	521.233742
ΔH_f, kcal/mol:	-251.31
Dipole, Da:	1.58
IP(EA), eV:	-8.55(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-5-acetamido-4,4-difluoro-3-hydroxy-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)NCC(C([C@H](CC1=CC=C(C=C1)N)NC(=O)OCC2=CC=CC=C2)O)(F)F

DOS

IR

Vibrations