Geometry & MOs

Info

ID:

415238

PubChem CID:

135088230

Reduced:

SN3O3C23H23 (1)

Stoich.:

AB3C3D23E23 (1)

Weight, g/mol:

779.400647

ΔHf, kcal/mol:

3.71

Dipole, Da:

3.14

IP(EA), eV:

 -9.23(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6R,9S,15S)-9-benzyl-13-(cyclopropylmethyl)-15-[(1R)-1-hydroxyethyl]-4-[4-(4-methylpiperazin-1-yl)benzoyl]-19-oxa-4,7,10,13,16-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NO2)C3=CC=C(C=C3)C(=O)N4CCC5(CC4)C6=C(CCO5)SC=C6

DOS

IR

Vibrations