Geometry & MOs

Info

ID:

417391

PubChem CID:

135093130

Reduced:

NSO5C20H21 (1)

Stoich.:

ABC5D20E21 (1)

Weight, g/mol:

483.20055

ΔHf, kcal/mol:

-166.42

Dipole, Da:

5.85

IP(EA), eV:

 -9.19(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-(3-methoxypropanoyl)-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

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4)O

DOS

IR

Vibrations