Geometry & MOs

Info

ID:	179968
PubChem CID:	76559824
Reduced:	FO2H10C12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	597.296949
ΔH_f, kcal/mol:	-187.14
Dipole, Da:	1.77
IP(EA), eV:	-9.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-[(8-amino-1-chloro-2-oxonon-8-en-3-yl)amino]-5-benzyl-3,6-dioxo-1-phenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C(CC(=C(C2=CC=CC=C2)F)C(=O)C1=C(C3=CC=CC=C3)F)C(=O)CCC(=O)O

DOS

IR

Vibrations