Geometry & MOs

Info

ID:

237026

PubChem CID:

92716940

Reduced:

SO2N3H21C24 (1)

Stoich.:

AB2C3D21E24 (1)

Weight, g/mol:

439.156577

ΔHf, kcal/mol:

14.04

Dipole, Da:

8.63

IP(EA), eV:

 -8.17(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propyl 4-[(4S)-13-(methoxymethyl)-4,11-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-5-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C2C3=C(C(=O)N([C@@H](N3)C4=CC=CC=C4)C5=CC=CC=C5)SC2=N1)COC

DOS

IR

Vibrations