Geometry & MOs

Info

ID:

421838

PubChem CID:

135116701

Reduced:

SO5N8C38H46 (1)

Stoich.:

AB5C8D38E46 (1)

Weight, g/mol:

373.236542

ΔHf, kcal/mol:

-119.56

Dipole, Da:

7.08

IP(EA), eV:

 -8.89(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)CC4=CC=NC5=CC=CC=C45)C)C)C(C)C

DOS

IR

Vibrations