Geometry & MOs

Info

ID:	318443
PubChem CID:	126651379
Reduced:	BrN2O5C17H25 (1)
Stoich.:	AB2C5D17E25 (1)
Weight, g/mol:	608.153713
ΔH_f, kcal/mol:	-191.59
Dipole, Da:	4.39
IP(EA), eV:	-8.89(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxopyridin-1-yl]-3-[(2S)-oxan-2-yl]propanoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CC1CCCNO1)C2=C(C(=CNC2=O)OC)Br

DOS

IR

Vibrations