Geometry & MOs

Info

ID:	157880
PubChem CID:	56437668
Reduced:	SN4O4C20H24 (1)
Stoich.:	AB4C4D20E24 (1)
Weight, g/mol:	372.108562
ΔH_f, kcal/mol:	-98.6
Dipole, Da:	2.11
IP(EA), eV:	-8.57(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-pyrazol-1-ylphenyl)methyl (E)-4,4,4-trifluoro-3-phenylbut-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)NCCCC3=NC(=NO3)C(C)C

DOS

IR

Vibrations