Geometry & MOs

Info

ID:	140167
PubChem CID:	52657051
Reduced:	SN3O4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-52.44
Dipole, Da:	10.47
IP(EA), eV:	-9.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations