Geometry & MOs

Info

ID:	405045
PubChem CID:	135072265
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	467.071798
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	4.3
IP(EA), eV:	-8.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-chloro-1-[2-[(4-fluorophenyl)sulfonylamino]-4-oxobutyl]pyrrolo[2,3-c]pyridin-3-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)C1=NC2=C(C=C1)NC=C2C3CCCCC3

DOS

IR

Vibrations