Geometry & MOs

Info

ID:

221554

PubChem CID:

85279629

Reduced:

N21O22C64H109 (1)

Stoich.:

A21B22C64D109 (1)

Weight, g/mol:

1750.112224

ΔHf, kcal/mol:

-978.38

Dipole, Da:

15.11

IP(EA), eV:

 -9.53(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[9-[3-[2-[4-[[2,3-bis[[diethyl(propan-2-yl)silyl]oxy]-4-(dimethylamino)-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-3-[bis(2-trimethylsilylethoxy)phosphoryloxy]-7-[tert-butyl(dimethyl)silyl]oxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2,4-dimethylheptyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CCCNC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(C=C1)O)N

DOS

IR

Vibrations