Geometry & MOs

Info

ID:	125181
PubChem CID:	50913552
Reduced:	SO4N6H24C25 (1)
Stoich.:	AB4C6D24E25 (1)
Weight, g/mol:	518.173625
ΔH_f, kcal/mol:	-17.64
Dipole, Da:	8.74
IP(EA), eV:	-9.07(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C2=CC=C(C=C2)OC3=CC(=CC(=C3)C(=O)NC4=NC=CS4)OC5CCN(C5=O)C)C

DOS

IR

Vibrations