Geometry & MOs

Info

ID:

59791

PubChem CID:

24897322

Reduced:

N9O22C34H61 (1)

Stoich.:

A9B22C34D61 (1)

Weight, g/mol:

367.102434

ΔHf, kcal/mol:

-912.41

Dipole, Da:

12.2

IP(EA), eV:

 -9.38(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-[4-(4-formyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpropyl]carbamate

Drug info:

PubChemData

Smile

C(NC(=O)CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)NCCNC(=O)CO/N=C/C(O)[C@@H](O)[C@H](O)C(O)CO)CNC(=O)CO/N=C/C(O)[C@@H](O)[C@H](O)C(O)CO

DOS

IR

Vibrations