Geometry & MOs

Info

ID:	242881
PubChem CID:	99213576
Reduced:	SN4O4C23H26 (1)
Stoich.:	AB4C4D23E26 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-77.4
Dipole, Da:	3.64
IP(EA), eV:	-8.54(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCC3=NN(C=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations