Geometry & MOs

Info

ID:	327079
PubChem CID:	126688966
Reduced:	NSO10C14H15 (1)
Stoich.:	ABC10D14E15 (1)
Weight, g/mol:	498.111517
ΔH_f, kcal/mol:	-382.71
Dipole, Da:	0.49
IP(EA), eV:	-10.01(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[(2,5-difluorophenyl)-hydroxymethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=O)O1)COC(=O)NCCSC(=O)OCC2=C(OC(=O)O2)C

DOS

IR

Vibrations