Geometry & MOs

Info

ID:

121910

PubChem CID:

50786403

Reduced:

SO3N5H23C26 (1)

Stoich.:

AB3C5D23E26 (1)

Weight, g/mol:

456.173231

ΔHf, kcal/mol:

4.9

Dipole, Da:

3.6

IP(EA), eV:

 -8.94(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-[[11-(3,4-dimethylphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C4=NC(=NO4)C5=CC=CC=C5)C)C

DOS

IR

Vibrations