Geometry & MOs

Info

ID:	54105
PubChem CID:	14720164
Reduced:	F2N5O7C31H39 (1)
Stoich.:	A2B5C7D31E39 (1)
Weight, g/mol:	343.159515
ΔH_f, kcal/mol:	-379.12
Dipole, Da:	6.77
IP(EA), eV:	-9.41(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(6,6-difluoro-5-hydroxy-2-methyl-7-oxooctan-4-yl)carbamate

Drug info:

PubChemData

Smile

CC(=O)NCC(C(=O)C(CC1=CC=C(C=C1)N(/C(=N/C(=O)OC(C)(C)C)/N)C(=O)OC(C)(C)C)NC(=O)C2=CC=CC=C2)(F)F

DOS

IR

Vibrations