Geometry & MOs

Info

ID:	68957
PubChem CID:	46513622
Reduced:	FN3O5H22C23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	-202.1
Dipole, Da:	3.8
IP(EA), eV:	-9.16(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[3-methyl-1-[(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=C(C=C3)F

DOS

IR

Vibrations