Geometry & MOs

Info

ID:	180083
PubChem CID:	76573997
Reduced:	NO4C11H16 (2)
Stoich.:	AB4C11D16 (2)
Weight, g/mol:	472.116792
ΔH_f, kcal/mol:	-332.68
Dipole, Da:	5.87
IP(EA), eV:	-9.78(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]-3-hydroxy-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)C1(CO1)CO)NC(=O)C(CO)NC(=O)C2=COC3CCCCC3C2=O

DOS

IR

Vibrations