Geometry & MOs

Info

ID:	418454
PubChem CID:	135104907
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	382.131091
ΔH_f, kcal/mol:	-17.39
Dipole, Da:	3.36
IP(EA), eV:	-8.5(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=C2C3=C(CCCC3)SC2=N1)N)[C@@H]4C[C@@H]5CC(=O)NC[C@@H]5C4

DOS

IR

Vibrations