Geometry & MOs

Info

ID:

65337

PubChem CID:

29214710

Reduced:

SO2N10C24H32 (1)

Stoich.:

AB2C10D24E32 (1)

Weight, g/mol:

510.227391

ΔHf, kcal/mol:

61.09

Dipole, Da:

7.9

IP(EA), eV:

 -8.41(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-amino-5-[(2Z)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCCC(=O)NC3=CC(=CC=C3)N4CCCC4=O

DOS

IR

Vibrations