Geometry & MOs

Info

ID:

189484

PubChem CID:

77864550

Reduced:

SN5O6C41H61 (1)

Stoich.:

AB5C6D41E61 (1)

Weight, g/mol:

617.378849

ΔHf, kcal/mol:

-261.3

Dipole, Da:

8.78

IP(EA), eV:

 -9.01(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-cyclohexyl-2-[[1-[2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamic acid

Drug info:

PubChemData

Smile

CC1(C2C1C(N(C2)C(=O)C(C3(CCCCC3)C)NC(=O)C(C4CCCCC4)NC(=O)C5=CCCS5)C(=O)NC(CC6CCC6)C(=O)C(=O)NC7CC7)C

DOS

IR

Vibrations