Geometry & MOs

Info

ID:

215199

PubChem CID:

85084352

Reduced:

O20C33H36 (1)

Stoich.:

A20B33C36 (1)

Weight, g/mol:

752.520034

ΔHf, kcal/mol:

-798.55

Dipole, Da:

7.17

IP(EA), eV:

 -8.9(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-(2-cyclohexylethylamino)-5-[[2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)(O)O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations