Geometry & MOs

Info

ID:

424520

PubChem CID:

135122990

Reduced:

ON2C12H13 (2)

Stoich.:

AB2C12D13 (2)

Weight, g/mol:

540.240641

ΔHf, kcal/mol:

22.41

Dipole, Da:

2.27

IP(EA), eV:

 -8.54(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1-ethyltriazol-4-yl)methoxy]-2,2-dimethyl-3-[4-methyl-3-[[(4S)-4-methyl-1,1-dioxo-4,5-dihydro-3H-1lambda6,2-benzothiazepin-2-yl]methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC(=CC2=C1NC(=O)C23CCC3)C4=CC=NN4C5=CC=CC=C5

DOS

IR

Vibrations