Geometry & MOs

Info

ID:	236878
PubChem CID:	92715265
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	458.05897
ΔH_f, kcal/mol:	-36.08
Dipole, Da:	4.41
IP(EA), eV:	-8.94(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6R)-4-[3-bromo-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)NC(=O)CN2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3

DOS

IR

Vibrations