Geometry & MOs

Info

ID:	229140
PubChem CID:	87567044
Reduced:	BrPF2N3O5C17H27 (1)
Stoich.:	ABC2D3E5F17G27 (1)
Weight, g/mol:	406.129549
ΔH_f, kcal/mol:	-333.59
Dipole, Da:	3.29
IP(EA), eV:	-9.62(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-5-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=C(C=C(C=C1)CNNC(=O)NOC(C)(C)C)Br)(F)F)OCC

DOS

IR

Vibrations