Geometry & MOs

Info

ID:

419429

PubChem CID:

135108163

Reduced:

SO2N3C14H19 (1)

Stoich.:

AB2C3D14E19 (1)

Weight, g/mol:

676.322062

ΔHf, kcal/mol:

15.14

Dipole, Da:

4.74

IP(EA), eV:

 -8.2(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)SC)CC2=NOC(=N2)COC

DOS

IR

Vibrations