Geometry & MOs

Info

ID:

415055

PubChem CID:

135088041

Reduced:

O2N5C16H21 (1)

Stoich.:

A2B5C16D21 (1)

Weight, g/mol:

732.305367

ΔHf, kcal/mol:

8.32

Dipole, Da:

6.74

IP(EA), eV:

 -8.88(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,22R,25S)-22-benzyl-25-[(1R)-1-hydroxyethyl]-7-methoxy-2-(2-methylpropyl)-11-oxa-30-thia-3,15,16,17,20,23,26,31-octazatetracyclo[26.2.1.115,18.05,10]dotriaconta-1(31),5(10),6,8,16,18(32),28-heptaene-4,21,24,27-tetrone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(C)C2=NC(=CN=C2)C(=O)N3CCCC3

DOS

IR

Vibrations