Geometry & MOs

Info

ID:	139375
PubChem CID:	52519550
Reduced:	O2N6C22H27 (1)
Stoich.:	A2B6C22D27 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	-6.64
Dipole, Da:	6.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.786719
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-methyl-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C[N+]1=CNC=C1)NC(=O)NC2=CC=CC(=C2)NC(=O)C3=CN=CC=C3

DOS

IR

Vibrations