Geometry & MOs

Info

ID:	181634
PubChem CID:	76767899
Reduced:	N2O5C24H32 (1)
Stoich.:	A2B5C24D32 (1)
Weight, g/mol:	421.225308
ΔH_f, kcal/mol:	-207.24
Dipole, Da:	4.81
IP(EA), eV:	-9.41(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dihydroxy-2-oxopentan-3-yl)-4-[2-[4-(4-methylpentyl)phenyl]ethynyl]benzamide

Drug info:

PubChemData

Smile

CC(C(C(=O)CO)NCC1=CC=C(C=C1)C2=CC=C(C=C2)CNC(=O)OC(C)(C)C)O

DOS

IR

Vibrations