Geometry & MOs

Info

ID:

446205

PubChem CID:

135273127

Reduced:

SN3O5C41H49 (1)

Stoich.:

AB3C5D41E49 (1)

Weight, g/mol:

566.25292

ΔHf, kcal/mol:

-182.18

Dipole, Da:

8.17

IP(EA), eV:

 -8.09(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(22R,23R)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetrazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,14(26),15,17,19,21(24)-nonaen-23-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC(CC)N1CC2=C3C(=CC(=C4C3=C(C=C2)C5=C(C=C6CN(CC7=C6C5=C4C=C7)C(CC)CC)SCC(C(=O)O)NC(=O)C)OCCO)C1

DOS

IR

Vibrations