Geometry & MOs

Info

ID:	125180
PubChem CID:	50913551
Reduced:	SN5O7H23C26 (1)
Stoich.:	AB5C7D23E26 (1)
Weight, g/mol:	504.157974
ΔH_f, kcal/mol:	-148.96
Dipole, Da:	8.69
IP(EA), eV:	-9.21(-1.29)
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-(1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)O[C@@H]3CCNC3=O)OC4=CC=C(C=C4)C5=NN=C(O5)C

DOS

IR

Vibrations