Geometry & MOs

Info

ID:	33162
PubChem CID:	7885229
Reduced:	SN2O6C20H28 (1)
Stoich.:	AB2C6D20E28 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-260.49
Dipole, Da:	6.57
IP(EA), eV:	-9.55(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCCN([C@@H]1CCS(=O)(=O)C1)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations