Geometry & MOs

Info

ID:	181627
PubChem CID:	76767558
Reduced:	N3O4C29H29 (1)
Stoich.:	A3B4C29D29 (1)
Weight, g/mol:	526.246772
ΔH_f, kcal/mol:	-42.78
Dipole, Da:	8.54
IP(EA), eV:	-9.24(-1.11)
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-(3,4-dimethylphenyl)butanoylamino]phenyl]ethynyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNCC(=O)NCC(C(=O)CO)NC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

DOS

IR

Vibrations