Geometry & MOs

Info

ID:	32975
PubChem CID:	7849899
Reduced:	NSO5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-186.2
Dipole, Da:	9.7
IP(EA), eV:	-8.95(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

DOS

IR

Vibrations