Geometry & MOs

Info

ID:

134266

PubChem CID:

51671105

Reduced:

NO4C25H29 (1)

Stoich.:

AB4C25D29 (1)

Weight, g/mol:

472.275964

ΔHf, kcal/mol:

-152.66

Dipole, Da:

4.07

IP(EA), eV:

 -8.65(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (6R)-2-[[(2S)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]propanoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1(C)C)C(=O)N(C2=O)C[C@@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations