Geometry & MOs

Info

ID:	421295
PubChem CID:	135115735
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	331.120192
ΔH_f, kcal/mol:	-72.03
Dipole, Da:	6.02
IP(EA), eV:	-9.01(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)C(=O)N2CCC3(CC2)C=C(CCO3)C

DOS

IR

Vibrations