Geometry & MOs

Info

ID:	70707
PubChem CID:	48413754
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	297.07474
ΔH_f, kcal/mol:	21.94
Dipole, Da:	6.03
IP(EA), eV:	-9.11(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethylsulfanyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)COC3=CC=C(C=C3)C(=O)NCC4=C(NN=C4)C

DOS

IR

Vibrations