Geometry & MOs

Info

ID:

326972

PubChem CID:

126688782

Reduced:

N2O2H6C7 (2)

Stoich.:

A2B2C6D7 (2)

Weight, g/mol:

498.247835

ΔHf, kcal/mol:

-48.42

Dipole, Da:

5.72

IP(EA), eV:

 -9.88(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[[(4S,9aS)-7-(indole-1-carbonyl)-5-oxo-3,4,7,8,9,9a-hexahydro-2H-pyrrolo[2,1-b][1,3]oxazepin-4-yl]amino]-1-oxopropan-2-yl]-(2,2-dimethylpropyl)carbamic acid

Drug info:

PubChemData

Smile

C1[C@H](C2C(O1)[C@H](CO2)N3C(=O)C4=CC=CC=C4C3=O)N=[N+]=[N-]

DOS

IR

Vibrations