Geometry & MOs

Info

ID:

329193

PubChem CID:

126731849

Reduced:

S2N4O4C29H34 (1)

Stoich.:

A2B4C4D29E34 (1)

Weight, g/mol:

589.07046

ΔHf, kcal/mol:

-86.01

Dipole, Da:

4.07

IP(EA), eV:

 -7.99(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4R,5R)-4-(4-bromo-1,3-thiazol-2-yl)-4-(hydroxymethyl)-5-[(2S)-2-(hydroxymethyl)-3-phenylmethoxypropyl]-5,6-dihydro-1,3-thiazin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC[C@@]1(CC2CSC(=N[C@@]2(CO1)C3=NC(=CS3)NCC4=C(C=C(C=C4)OC)OC)NC(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations