Geometry & MOs

Info

ID:	151663
PubChem CID:	56261034
Reduced:	SN4O4C22H32 (1)
Stoich.:	AB4C4D22E32 (1)
Weight, g/mol:	414.169191
ΔH_f, kcal/mol:	-115.2
Dipole, Da:	5.39
IP(EA), eV:	-9.11(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C)C(=O)NC3=C(ON=C3C)C

DOS

IR

Vibrations