Geometry & MOs

Info

ID:

181366

PubChem CID:

76735341

Reduced:

SN4O12C48H68 (1)

Stoich.:

AB4C12D48E68 (1)

Weight, g/mol:

666.261102

ΔHf, kcal/mol:

-512.53

Dipole, Da:

10.59

IP(EA), eV:

 -8.8(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13-cyclopropyl-4-(2-cyclopropylsulfonylacetyl)-2,14-dioxo-13-azatricyclo[13.3.0.04,6]octadec-7-en-17-yl] 6,8-dihydro-[1,3]dioxolo[4,5-e]isoindole-7-carboxylate

Drug info:

PubChemData

Smile

CCC1CC1(CC(=O)C2CC(CN2C(=O)C(CC(=O)C(C3CCCCC3)NC(=O)OC4CCCC4)C(C)(C)C)OC(=O)N5CC6=CC7=C(C=C6C5)OCCCO7)C(=O)NS(=O)(=O)C8CC8

DOS

IR

Vibrations