Geometry & MOs

Info

ID:

62940

PubChem CID:

26737721

Reduced:

SO2N3C21H23 (1)

Stoich.:

AB2C3D21E23 (1)

Weight, g/mol:

420.161997

ΔHf, kcal/mol:

-55.35

Dipole, Da:

6.49

IP(EA), eV:

 -8.43(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2S)-butan-2-yl]phenyl]-2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCN4C3=O)C

DOS

IR

Vibrations