Geometry & MOs

Info

ID:	441172
PubChem CID:	135233409
Reduced:	F3N7H10C17 (1)
Stoich.:	A3B7C10D17 (1)
Weight, g/mol:	536.288637
ΔH_f, kcal/mol:	36.0
Dipole, Da:	4.09
IP(EA), eV:	-9.64(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[4-amino-5-[2-methyl-4-[6-(3-methylbutyl)-1-benzofuran-2-yl]butanoyl]-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C2=C(N(C=N2)CC(F)F)C3=NN4C(=NC=C4C#N)C=C3)F

DOS

IR

Vibrations