Geometry & MOs

Info

ID:

324911

PubChem CID:

126678587

Reduced:

SN3O4C16H23 (1)

Stoich.:

AB3C4D16E23 (1)

Weight, g/mol:

805.604098

ΔHf, kcal/mol:

-160.89

Dipole, Da:

1.41

IP(EA), eV:

-9.55(-0.82)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(E,3R,15R,19S)-15-amino-1-[[(2S)-5-[[(2S)-4-[[(3S)-1-[[(2S)-4-amino-3-oxobutan-2-yl]amino]-2-oxoheptan-3-yl]amino]-3-oxobutan-2-yl]amino]-3-oxopentan-2-yl]amino]-3,15-dimethyl-19-(methylamino)icos-7-ene-2,16,18-trione

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)OC

DOS

IR

Vibrations