Geometry & MOs

Info

ID:

1561

PubChem CID:

4693

Reduced:

SO3N4C19H24 (2)

Stoich.:

AB3C4D19E24 (2)

Weight, g/mol:

776.313824

ΔHf, kcal/mol:

-173.71

Dipole, Da:

10.94

IP(EA), eV:

 -9.17(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-benzyl-4-butan-2-yl-7,21,25-trimethyl-18-(2-methylpropyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone

Drug info:

PubChemData

Smile

CCC(C)C1C2=NC(C(O2)C)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(C(O4)C)C(=O)NC(C5=NC(=CS5)C(=O)N1)C)CC(C)C)CC6=CC=CC=C6

DOS

IR

Vibrations