Geometry & MOs

Info

ID:	40107
PubChem CID:	8143573
Reduced:	S2O3N4C18H24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	203.069477
ΔH_f, kcal/mol:	-49.41
Dipole, Da:	4.26
IP(EA), eV:	-8.81(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-cyano-N-(4-methylphenyl)-2-nitrosoacetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C(=S)O3)CN4CCCC4

DOS

IR

Vibrations