Geometry & MOs

Info

ID:	54100
PubChem CID:	14720136
Reduced:	F2N2O4C31H44 (1)
Stoich.:	A2B2C4D31E44 (1)
Weight, g/mol:	409.144927
ΔH_f, kcal/mol:	-300.29
Dipole, Da:	3.71
IP(EA), eV:	-9.48(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-5-amino-4,4-difluoro-3-hydroxy-1-(4-nitrophenyl)pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(CCCC1=CC=CC=C1)C(=O)NCC(C(C(CC(C)C)NC(=O)OCC2=CC=CC=C2)O)(F)F

DOS

IR

Vibrations