Geometry & MOs

Info

ID:

326444

PubChem CID:

126687562

Reduced:

OC7H12 (3)

Stoich.:

AB7C12 (3)

Weight, g/mol:

1053.589904

ΔHf, kcal/mol:

-173.48

Dipole, Da:

1.85

IP(EA), eV:

 -8.52(0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,11S,14S)-14-[[2-[[(2S)-2-amino-2-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]-methylamino]-3,18-dihydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)(C)C1=CC=C(C=C1)OC(C)(C)COC(C)(C)CCO

DOS

IR

Vibrations