Geometry & MOs

Info

ID:	230566
PubChem CID:	87571380
Reduced:	O5N10C33H46 (1)
Stoich.:	A5B10C33D46 (1)
Weight, g/mol:	584.088735
ΔH_f, kcal/mol:	-51.43
Dipole, Da:	6.35
IP(EA), eV:	-8.03(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]benzoate

Drug info:

PubChemData

Smile

C1CCN(C1)CCNC2=C(C3=C4C=CC(=C3C(=C2C(=O)O)C(=O)NNCCN5CCCC5)C(=O)NC4=O)/C(=N/NCCN6CCCC6)/N

DOS

IR

Vibrations