Geometry & MOs

Info

ID:	165629
PubChem CID:	74577813
Reduced:	SN3O5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	401.21888
ΔH_f, kcal/mol:	-165.97
Dipole, Da:	4.23
IP(EA), eV:	-8.31(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-hydroxy-5-(hydroxymethyl)-2-[(phenylcarbamoylamino)methyl]oxolan-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2C(C(C(O2)CO)O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations