Geometry & MOs

Info

ID:	425025
PubChem CID:	135124901
Reduced:	SO2F3N5H24C26 (1)
Stoich.:	AB2C3D5E24F26 (1)
Weight, g/mol:	385.130553
ΔH_f, kcal/mol:	-124.32
Dipole, Da:	7.58
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(1-chloroethyl)phenyl]-5-[(1R,2R)-2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)NC2=NC=C(S2)C#CC3=C(C=CC(=C3)C(=O)NC4=NC=CC(=C4)C(F)(F)F)C

DOS

IR

Vibrations