Geometry & MOs

Info

ID:

328719

PubChem CID:

126726784

Reduced:

NO4H29C40 (1)

Stoich.:

AB4C29D40 (1)

Weight, g/mol:

485.04425

ΔHf, kcal/mol:

4.63

Dipole, Da:

10.46

IP(EA), eV:

 -8.37(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3R,4R,6R)-3-(4-bromo-1,3-thiazol-2-yl)-4-(hydroxymethyl)-6-(phenylmethoxymethyl)oxan-3-yl]-3-methylthiourea

Drug info:

PubChemData

Smile

CC1CC2=C(N1C3=CC=C(C=C3)C=C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C2)/C=C/6\C(=O)C7=C(C6=O)C=C(C=C7)C(=O)O

DOS

IR

Vibrations