Geometry & MOs

Info

ID:

180003

PubChem CID:

76565569

Reduced:

O6N7C33H43 (1)

Stoich.:

A6B7C33D43 (1)

Weight, g/mol:

735.393117

ΔHf, kcal/mol:

-192.04

Dipole, Da:

7.25

IP(EA), eV:

 -9.16(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-N-[6,6,6-trifluoro-2-hydroxy-1-oxo-1-(prop-2-enylamino)hexan-3-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)N)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C(C)(C)C)NC(=O)C(C3=CC=CC=C3)NC(=O)C4=NC=CN=C4

DOS

IR

Vibrations