Geometry & MOs

Info

ID:	32978
PubChem CID:	7849911
Reduced:	NSO5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-182.12
Dipole, Da:	4.0
IP(EA), eV:	-9.4(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NCCCC2=CC=CC=C2

DOS

IR

Vibrations