Geometry & MOs

Info

ID:	447536
PubChem CID:	135283684
Reduced:	ClSO3N6C16H23 (1)
Stoich.:	ABC3D6E16F23 (1)
Weight, g/mol:	460.167747
ΔH_f, kcal/mol:	-77.18
Dipole, Da:	4.01
IP(EA), eV:	-8.91(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-[6-chloro-7-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(N=C(N1)C(=O)N[C@@H]2CCN(C[C@@H]2OC)C3=NN=C(S3)[C@H](C)O)Cl

DOS

IR

Vibrations