Geometry & MOs

Info

ID:

416579

PubChem CID:

135089715

Reduced:

SN2O2C16H24 (1)

Stoich.:

AB2C2D16E24 (1)

Weight, g/mol:

546.259068

ΔHf, kcal/mol:

-80.96

Dipole, Da:

3.04

IP(EA), eV:

 -8.75(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[[2-(propylamino)pyrimidin-5-yl]methyl]-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

CN(CC(=O)NCC1=CC=CS1)C2C[C@@H]3CC(C[C@@H]3C2)O

DOS

IR

Vibrations