Geometry & MOs

Info

ID:

33791

PubChem CID:

7888122

Reduced:

OS2N4C20H24 (1)

Stoich.:

AB2C4D20E24 (1)

Weight, g/mol:

388.139154

ΔHf, kcal/mol:

6.8

Dipole, Da:

6.3

IP(EA), eV:

 -8.68(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)S[C@H](C)C(=O)NC4(CCCCC4)C#N

DOS

IR

Vibrations