Geometry & MOs

Info

ID:	84275
PubChem CID:	49865205
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	527.253255
ΔH_f, kcal/mol:	-79.57
Dipole, Da:	3.14
IP(EA), eV:	-8.86(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[5-[[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)C)SC1=CC=CC(=C1)OC

DOS

IR

Vibrations