Geometry & MOs

Info

ID:	156531
PubChem CID:	56371020
Reduced:	OCl2F2N2H12C15 (1)
Stoich.:	AB2C2D2E12F15 (1)
Weight, g/mol:	426.163809
ΔH_f, kcal/mol:	-122.02
Dipole, Da:	4.09
IP(EA), eV:	-9.19(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)NCC2=C(C=C(C=C2)Cl)Cl)C(F)F

DOS

IR

Vibrations