Geometry & MOs

Info

ID:	61794
PubChem CID:	26713184
Reduced:	SN3O4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	359.199762
ΔH_f, kcal/mol:	-23.58
Dipole, Da:	5.62
IP(EA), eV:	-9.04(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1R)-1-(4-phenylphenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CNC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

DOS

IR

Vibrations