Geometry & MOs

Info

ID:	158773
PubChem CID:	56468370
Reduced:	FS2O3N6C18H19 (1)
Stoich.:	AB2C3D6E18F19 (1)
Weight, g/mol:	439.132364
ΔH_f, kcal/mol:	-43.49
Dipole, Da:	10.39
IP(EA), eV:	-9.67(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCCC4)F

DOS

IR

Vibrations