Geometry & MOs

Info

ID:	243335
PubChem CID:	99218600
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	447.219178
ΔH_f, kcal/mol:	-125.6
Dipole, Da:	4.69
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-tert-butyl-2-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-5-(3-methylphenoxy)pentanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC=CC=C1NC(=O)CCCCOC2=CC=CC(=C2)C

DOS

IR

Vibrations