Geometry & MOs

Info

ID:	416803
PubChem CID:	135090443
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	330.136176
ΔH_f, kcal/mol:	-33.58
Dipole, Da:	3.33
IP(EA), eV:	-8.49(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCN2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34)C

DOS

IR

Vibrations