Geometry & MOs

Info

ID:	227325
PubChem CID:	87561272
Reduced:	N2O4C63H130 (1)
Stoich.:	A2B4C63D130 (1)
Weight, g/mol:	275.155515
ΔH_f, kcal/mol:	-472.67
Dipole, Da:	9.2
IP(EA), eV:	-8.72(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-tert-butylsulfanyl-2-(propanoylamino)propanoate

Drug info:

PubChemData

Smile

CCCCCCCCCC[NH+](CCCCCCCCCC)CCCCCCCCCC.CCCCCCCCCC[NH+](CCCCCCCCCC)CCCCCCCCCC.C(C(=O)[O-])C(=O)[O-]

DOS

IR

Vibrations