Geometry & MOs

Info

ID:

424591

PubChem CID:

135123251

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

541.23589

ΔHf, kcal/mol:

-96.94

Dipole, Da:

1.01

IP(EA), eV:

 -8.9(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[(1-ethyltriazol-4-yl)methoxy]-2,2-dimethyl-3-[4-methyl-3-[[(4R)-4-methyl-1,1-dioxo-4,5-dihydro-3H-pyrido[4,3-f]thiazepin-2-yl]methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC[C@@H]1CN(CC2=C(O1)C=CC(=N2)C)CC3=C(C=CC(=C3)C(C(C)(C)C(=O)OC)OCC4=CN(N=N4)C)C

DOS

IR

Vibrations