Geometry & MOs

Info

ID:	49573
PubChem CID:	11533289
Reduced:	BrSN3O4C21H22 (1)
Stoich.:	ABC3D4E21F22 (1)
Weight, g/mol:	492.150821
ΔH_f, kcal/mol:	-109.94
Dipole, Da:	7.74
IP(EA), eV:	-9.06(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3(CCOC3)NC(=O)C4=CC=C(S4)Br

DOS

IR

Vibrations