Geometry & MOs

Info

ID:	135105
PubChem CID:	51815021
Reduced:	SN3O5C28H31 (1)
Stoich.:	AB3C5D28E31 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-149.61
Dipole, Da:	8.39
IP(EA), eV:	-9.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(E,2R)-1-(tert-butylamino)-1-oxopent-3-en-2-yl]-propylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCN([C@H](C1=CC=CC=C1)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations