Geometry & MOs

Info

ID:

186348

PubChem CID:

77423807

Reduced:

SN5O7C40H63 (1)

Stoich.:

AB5C7D40E63 (1)

Weight, g/mol:

647.371656

ΔHf, kcal/mol:

-302.81

Dipole, Da:

5.94

IP(EA), eV:

 -9.4(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3-[3,3-dimethyl-2-[[1-(1-oxothietan-2-yl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1(CS(=O)(=O)C(C)(C)C)NC(=O)NC(C2=CCCCC2)C(=O)N3CC4C(C3C(=O)NC(CC5CC5)C(=O)C(=O)NCC=C)C4(C)C)C

DOS

IR

Vibrations