Geometry & MOs

Info

ID:	36548
PubChem CID:	8008451
Reduced:	SN3O4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	280.129731
ΔH_f, kcal/mol:	-109.53
Dipole, Da:	10.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771553
Charge, e:	1

Chem-info

IUPAC name:

[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[NH2+]CC3=CC(=CC=C3)OC

DOS

IR

Vibrations