Geometry & MOs

Info

ID:	306261
PubChem CID:	125003385
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	24.24
Dipole, Da:	2.84
IP(EA), eV:	-9.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CC[C@@H](C2)CC3=CC(=NC=N3)C4=C(ON=C4C)C

DOS

IR

Vibrations