Geometry & MOs

Info

ID:

191408

PubChem CID:

78143806

Reduced:

N2O7H30C31 (1)

Stoich.:

A2B7C30D31 (1)

Weight, g/mol:

735.388351

ΔHf, kcal/mol:

-213.18

Dipole, Da:

4.6

IP(EA), eV:

 -8.95(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(cyclopropylmethylamino)-3-[(9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-yl)oxy]propan-2-ol

Drug info:

PubChemData

Smile

C1C(CC2C(C1O)C(=O)C(=CO2)C3=CC=C(C=C3)OC(=O)NCC4=CC=CC=C4)OC(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations