Geometry & MOs

Info

ID:	32966
PubChem CID:	7849764
Reduced:	NSO5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	378.053798
ΔH_f, kcal/mol:	-215.84
Dipole, Da:	6.41
IP(EA), eV:	-9.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(3,5-dichloropyridin-2-yl)amino]-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

DOS

IR

Vibrations