Geometry & MOs

Info

ID:	38684
PubChem CID:	8137452
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-113.57
Dipole, Da:	7.67
IP(EA), eV:	-9.38(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C(=O)CCC(=O)NCC(=O)NC3CC3

DOS

IR

Vibrations