Geometry & MOs

Info

ID:

394295

PubChem CID:

135022691

Reduced:

NO3C12H19 (2)

Stoich.:

AB3C12D19 (2)

Weight, g/mol:

984.499692

ΔHf, kcal/mol:

-322.34

Dipole, Da:

4.54

IP(EA), eV:

 -9.27(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2S,3aS,8bS)-8b-[(2S,3aS,8bS)-2-ethoxycarbonyl-3-[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC1=C(C=C(C=C1)CCC(=O)OC)CCNC(=O)OC(C)(C)C

DOS

IR

Vibrations