Geometry & MOs

Info

ID:

65336

PubChem CID:

29214706

Reduced:

SF2O2N4C18H26 (1)

Stoich.:

AB2C2D4E18F26 (1)

Weight, g/mol:

524.243041

ΔHf, kcal/mol:

-155.96

Dipole, Da:

7.17

IP(EA), eV:

 -8.36(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[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]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)[C@H](C(C)C)NC(=O)C1=C(C=CC=C1F)F

DOS

IR

Vibrations