Geometry & MOs

Info

ID:	445876
PubChem CID:	135269853
Reduced:	SO2N6H22C23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	506.173625
ΔH_f, kcal/mol:	93.38
Dipole, Da:	3.18
IP(EA), eV:	-8.8(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(S)-[2-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]sulfinyl]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C2=NN=C(O2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)N5CCNCC5

DOS

IR

Vibrations