Geometry & MOs

Info

ID:	181628
PubChem CID:	76767559
Reduced:	N2O5C32H34 (1)
Stoich.:	A2B5C32D34 (1)
Weight, g/mol:	493.257671
ΔH_f, kcal/mol:	-127.52
Dipole, Da:	8.1
IP(EA), eV:	-8.72(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dihydroxy-2-oxopentan-3-yl)-4-[2-[4-[[2-[di(propan-2-yl)amino]acetyl]amino]phenyl]ethynyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCCC(=O)NC2=CC=C(C=C2)C#CC3=CC=C(C=C3)C(=O)NC(C(C)O)C(=O)CO)C

DOS

IR

Vibrations