Geometry & MOs

Info

ID:

325819

PubChem CID:

126685122

Reduced:

ClO6C21H25 (1)

Stoich.:

AB6C21D25 (1)

Weight, g/mol:

608.316305

ΔHf, kcal/mol:

-254.83

Dipole, Da:

2.63

IP(EA), eV:

 -8.81(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-amino-3-(4-chlorophenyl)-N-[(1S,2R)-2-[2-[(6R,9S)-2,2-dioxo-2lambda6-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]cyclohexyl]-3-(4-methoxycyclohexyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3(CC([C@H](O3)C(CO)O)O)O)Cl

DOS

IR

Vibrations