Geometry & MOs

Info

ID:

234191

PubChem CID:

92297896

Reduced:

OI2N2C21H24 (1)

Stoich.:

AB2C2D21E24 (1)

Weight, g/mol:

620.241704

ΔHf, kcal/mol:

17.51

Dipole, Da:

6.05

IP(EA), eV:

 -8.46(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-3-N-cyclohexyl-5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-N-[(1S)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC[C@@H](CN2C3=C(C=C(C=C3)I)C4=C2C=CC(=C4)I)O

DOS

IR

Vibrations