Geometry & MOs

Info

ID:

311693

PubChem CID:

126596881

Reduced:

SN2H22C30 (1)

Stoich.:

AB2C22D30 (1)

Weight, g/mol:

741.237697

ΔHf, kcal/mol:

134.74

Dipole, Da:

3.09

IP(EA), eV:

 -8.03(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,5S,6R)-2-[[(10R,14S)-14-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC3=C(C=C2)SC4=CC=CC=C43)N5C6C=CC=CC6C7=C(C=CC=C75)N

DOS

IR

Vibrations