Geometry & MOs

Info

ID:

164511

PubChem CID:

74409359

Reduced:

SN11O12C51H83 (1)

Stoich.:

AB11C12D51E83 (1)

Weight, g/mol:

855.462973

ΔHf, kcal/mol:

-611.97

Dipole, Da:

4.13

IP(EA), eV:

 -8.63(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-13-[[5-(1,2-oxazol-5-yl)pyridin-2-yl]methoxyimino]-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]propanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(C=O)C(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CO)N

DOS

IR

Vibrations