Geometry & MOs

Info

ID:

169228

PubChem CID:

75076404

Reduced:

N9O17C48H79 (2)

Stoich.:

A9B17C48D79 (2)

Weight, g/mol:

332.134777

ΔHf, kcal/mol:

-1366.52

Dipole, Da:

40.18

IP(EA), eV:

 -6.06(-3.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)COCC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O)C)CC(C)C)C)C(C)C)CC(C)C)C)C

DOS

IR

Vibrations