Geometry & MOs

Info

ID:	336339
PubChem CID:	127255346
Reduced:	ClSN3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	367.212058
ΔH_f, kcal/mol:	-70.82
Dipole, Da:	5.35
IP(EA), eV:	-8.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)SC(=N2)NC(=O)CC3(CCOCC3)N4C=CC=C4)Cl

DOS

IR

Vibrations