Geometry & MOs

Info

ID:

316179

PubChem CID:

126630318

Reduced:

N5O7C35H47 (1)

Stoich.:

A5B7C35D47 (1)

Weight, g/mol:

771.256847

ΔHf, kcal/mol:

-252.2

Dipole, Da:

2.72

IP(EA), eV:

 -8.83(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (3S)-1-[(2S)-2-[[(2S)-2-[[(E)-4-[2-[(1R)-1-acetyloxyethyl]quinolin-7-yl]-1-hydroxy-2,2-dimethylbut-3-enyl]amino]-3-methylbutanoyl]amino]-3-methoxypropanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCC(N1)(C)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)/C=C/C2=CC3=C(C=C2)C=CC(=N3)[C@H]4CC4OC(=O)C

DOS

IR

Vibrations