Geometry & MOs

Info

ID:	316140
PubChem CID:	126630195
Reduced:	INSO2C10H18 (1)
Stoich.:	ABCD2E10F18 (1)
Weight, g/mol:	530.146568
ΔH_f, kcal/mol:	-76.95
Dipole, Da:	6.37
IP(EA), eV:	-9.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl 1-[2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

CC1(CCN(CC1)S(=O)(=O)CC2CC2)I

DOS

IR

Vibrations