Geometry & MOs

Info

ID:	420491
PubChem CID:	135113435
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	317.104542
ΔH_f, kcal/mol:	-0.33
Dipole, Da:	7.01
IP(EA), eV:	-8.64(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)N2C=CC=N2)CN(C)[C@@H]3C[C@@H]4CC(=O)N(C[C@@H]4C3)C)C

DOS

IR

Vibrations