Geometry & MOs

Info

ID:	31891
PubChem CID:	3722797
Reduced:	BrNSO3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	488.115441
ΔH_f, kcal/mol:	-71.74
Dipole, Da:	5.31
IP(EA), eV:	-8.93(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[5-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]pyrimidin-4-yl]oxyphenyl]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)S(=O)(=O)NC2=CC=C(C=C2)CO

DOS

IR

Vibrations