Geometry & MOs

Info

ID:

309194

PubChem CID:

126539938

Reduced:

O6N7C41H63 (1)

Stoich.:

A6B7C41D63 (1)

Weight, g/mol:

763.499633

ΔHf, kcal/mol:

-196.91

Dipole, Da:

6.57

IP(EA), eV:

 -8.04(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(2S)-1-[(2R)-4-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-quinolin-8-ylethylamino)propyl]pyrrolidin-1-yl]-5-nitroso-2,3-dihydrofuran-2-yl]-2-methylbutyl]-N,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC[C@H](C)C([C@H]1CC(=C(O1)N=O)N2CCC[C@H]2[C@@H]([C@@H](C)C(=O)NCCC3=CN=CC4=CC=CC=C43)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations