Geometry & MOs

Info

ID:

320055

PubChem CID:

126658105

Reduced:

F3O6N10C52H67 (1)

Stoich.:

A3B6C10D52E67 (1)

Weight, g/mol:

452.288637

ΔHf, kcal/mol:

-351.45

Dipole, Da:

4.23

IP(EA), eV:

 -8.46(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[4-[4-cyclobutyl-4-(methoxycarbonylamino)-2-methyl-3-oxobutan-2-yl]cyclohexyl]-3-methyl-2-oxobutyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC[C@H]1C2=NC3=C(N2)CC(C=C3)(C)[C@H]4CC[C@@H](N4C5=CC(=C(C(=C5)F)N6CCC(CC6)F)F)C7=CC8=C(C=C7)N=C(N8)[C@@H]9CCCN9C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations