Geometry & MOs

Info

ID:	49765
PubChem CID:	11533767
Reduced:	SN3O3C28H29 (1)
Stoich.:	AB3C3D28E29 (1)
Weight, g/mol:	524.242356
ΔH_f, kcal/mol:	-35.41
Dipole, Da:	6.84
IP(EA), eV:	-9.07(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[4-(8-acetyl-5-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CC(=NC=N2)N(CC3=CC=C(C=C3)SC(C)(C)C(=O)O)CC4=CC=CO4

DOS

IR

Vibrations