Geometry & MOs

Info

ID:

419654

PubChem CID:

135108669

Reduced:

OSN4C20H20 (1)

Stoich.:

ABC4D20E20 (1)

Weight, g/mol:

574.161912

ΔHf, kcal/mol:

31.65

Dipole, Da:

4.03

IP(EA), eV:

 -9.43(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-(4-chloro-1H-indole-2-carbonyl)-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC5=C(C=C4)N=CS5

DOS

IR

Vibrations