Geometry & MOs

Info

ID:	415231
PubChem CID:	135088223
Reduced:	O4N6C17H22 (1)
Stoich.:	A4B6C17D22 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-74.6
Dipole, Da:	5.65
IP(EA), eV:	-10.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3,5-di(propan-2-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NOC(=N2)CNC(=O)C3=NN4CC(CNC(=O)C4=C3)O

DOS

IR

Vibrations