Geometry & MOs

Info

ID:

33787

PubChem CID:

7888103

Reduced:

ClOS2N4H17C18 (1)

Stoich.:

ABC2D4E17F18 (1)

Weight, g/mol:

372.107854

ΔHf, kcal/mol:

28.13

Dipole, Da:

6.37

IP(EA), eV:

 -8.77(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)S[C@H](C)C(=O)NC4=NC=C(C=C4)Cl

DOS

IR

Vibrations