Geometry & MOs

Info

ID:

327424

PubChem CID:

126689857

Reduced:

O5N6C16H26 (1)

Stoich.:

A5B6C16D26 (1)

Weight, g/mol:

1285.580796

ΔHf, kcal/mol:

-179.4

Dipole, Da:

6.42

IP(EA), eV:

 -9.75(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N,N-bis[2-[[(6aS)-2-methoxy-14-oxo-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepin-3-yl]oxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NN=NN1CC(=O)N[C@H]2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations