Geometry & MOs

Info

ID:	181641
PubChem CID:	76768057
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-119.7
Dipole, Da:	4.4
IP(EA), eV:	-9.54(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1-amino-4-hydroxy-3-oxobutan-2-yl)amino]-4-oxobutyl]-4-(4-ethylphenyl)benzamide

Drug info:

PubChemData

Smile

CC(C(C(=O)CO)NC(=O)C1=CC=C(C=C1)C#CC2=CC(=CC=C2)C(=O)NCCN)O

DOS

IR

Vibrations