Geometry & MOs

Info

ID:	54083
PubChem CID:	14720016
Reduced:	F2N5O8C25H39 (1)
Stoich.:	A2B5C8D25E39 (1)
Weight, g/mol:	499.285778
ΔH_f, kcal/mol:	-499.18
Dipole, Da:	4.97
IP(EA), eV:	-9.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2,2-difluoro-3-hydroxy-6-methyl-1-[[2-methyl-3-(3-methylbutylamino)-3-oxopropanoyl]amino]heptan-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C(CNC(=O)C)(F)F)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(C)NC(=O)CCC(=O)OC

DOS

IR

Vibrations