Geometry & MOs

Info

ID:	181640
PubChem CID:	76768056
Reduced:	N3O4C28H31 (1)
Stoich.:	A3B4C28D31 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	2.86
IP(EA), eV:	-9.19(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(C(=O)CO)NC(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CCCCCN3C=CN=C3)O

DOS

IR

Vibrations