Geometry & MOs

Info

ID:	180436
PubChem CID:	76632446
Reduced:	OSN2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	305.104542
ΔH_f, kcal/mol:	38.15
Dipole, Da:	4.59
IP(EA), eV:	-8.2(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-2-nitrososulfanylhexanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(NNC1OSC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations