Geometry & MOs

Info

ID:

312182

PubChem CID:

126603478

Reduced:

SN3O4C17H29 (1)

Stoich.:

AB3C4D17E29 (1)

Weight, g/mol:

638.328411

ΔHf, kcal/mol:

-171.81

Dipole, Da:

3.76

IP(EA), eV:

 -9.35(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-thiazol-5-ylmethyl N-[6-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-3-(2-methylpropoxy)butanoyl]amino]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)COC[C@@H](C(=O)OC)NC(=O)N(C)CC1=CSC(=N1)C(C)C

DOS

IR

Vibrations