Geometry & MOs

Info

ID:

424870

PubChem CID:

135124283

Reduced:

SO5N6C28H32 (1)

Stoich.:

AB5C6D28E32 (1)

Weight, g/mol:

617.278424

ΔHf, kcal/mol:

-54.63

Dipole, Da:

2.08

IP(EA), eV:

 -8.43(-0.66)

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-[[(4S)-4-methyl-1,1-dioxo-4,5-dihydro-3H-pyrido[4,3-f]thiazepin-2-yl]methyl]phenyl]-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(C2=CC=CC=C2O1)(O)O)CC3=C(C=CC(=C3)N4C(=C(C=N4)C(=O)O)C5CC5C6=CN(N=N6)C)C

DOS

IR

Vibrations