Geometry & MOs

Info

ID:	423634
PubChem CID:	135119880
Reduced:	SO4N5C13H23 (1)
Stoich.:	AB4C5D13E23 (1)
Weight, g/mol:	601.22043
ΔH_f, kcal/mol:	-130.04
Dipole, Da:	4.63
IP(EA), eV:	-9.78(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17S)-17-benzyl-22-chloro-11-(pyridine-4-carbonyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.2.2.16,9]pentacosa-1(22),7,9(25),20,23-pentaene-16,19-dione

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCCN2C=NC=N2

DOS

IR

Vibrations