Geometry & MOs

Info

ID:	423015
PubChem CID:	135118765
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-56.22
Dipole, Da:	7.83
IP(EA), eV:	-8.43(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC4=C(C=C3)C5=C(N4)CCCC5

DOS

IR

Vibrations