Geometry & MOs

Info

ID:	150281
PubChem CID:	53789969
Reduced:	NOS3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	525.2475
ΔH_f, kcal/mol:	21.61
Dipole, Da:	2.75
IP(EA), eV:	-8.57(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-5-yl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CSC(=S)C1(COCCS1)C2=CN=CC=C2

DOS

IR

Vibrations