Geometry & MOs

Info

ID:	244305
PubChem CID:	99319771
Reduced:	ClO3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	458.177647
ΔH_f, kcal/mol:	-47.59
Dipole, Da:	0.73
IP(EA), eV:	-9.03(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl

DOS

IR

Vibrations