Geometry & MOs

Info

ID:

33737

PubChem CID:

7887824

Reduced:

OS2N5C19H23 (1)

Stoich.:

AB2C5D19E23 (1)

Weight, g/mol:

415.150053

ΔHf, kcal/mol:

30.92

Dipole, Da:

7.14

IP(EA), eV:

 -8.78(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-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=CC=NN4C(C)C

DOS

IR

Vibrations