Geometry & MOs

Info

ID:

326637

PubChem CID:

126687928

Reduced:

N8O11C48H74 (1)

Stoich.:

A8B11C48D74 (1)

Weight, g/mol:

1000.493956

ΔHf, kcal/mol:

-497.98

Dipole, Da:

1.57

IP(EA), eV:

 -8.67(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,10S,13S)-13-[[2-[[(2R)-2-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]-methylamino]-3,17-dihydroxy-N-[2-(methanesulfonamido)-2-oxoethyl]-10-methyl-9,12-dioxo-8,11-diazatricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-7-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@@H](C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)OC[C@H](C)N)O)N

DOS

IR

Vibrations