Geometry & MOs

Info

ID:	63023
PubChem CID:	26738056
Reduced:	OSN5C18H27 (1)
Stoich.:	ABC5D18E27 (1)
Weight, g/mol:	449.198442
ΔH_f, kcal/mol:	-8.7
Dipole, Da:	3.89
IP(EA), eV:	-8.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)NC(=O)CC2=C(N3C(=NC(=N3)SC)N=C2C)C

DOS

IR

Vibrations