Geometry & MOs

Info

ID:

327296

PubChem CID:

126689435

Reduced:

SN3O7C20H21 (1)

Stoich.:

AB3C7D20E21 (1)

Weight, g/mol:

583.198836

ΔHf, kcal/mol:

-131.63

Dipole, Da:

6.45

IP(EA), eV:

 -9.48(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S)-2-[4-[3-[(3R)-3-methyl-3-methylsulfonyl-4-(oxan-2-yloxyamino)-4-oxobutyl]-4-oxoquinazolin-7-yl]buta-1,3-diynyl]cyclopropyl]methyl acetate

Drug info:

PubChemData

Smile

CC(CCN1C=NC2=C(C1=O)C=CC(=C2)C#CC#CC(CO)O)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations