Geometry & MOs

Info

ID:	421296
PubChem CID:	135115737
Reduced:	SN3O5C13H21 (1)
Stoich.:	AB3C5D13E21 (1)
Weight, g/mol:	435.190654
ΔH_f, kcal/mol:	-184.33
Dipole, Da:	6.52
IP(EA), eV:	-9.73(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-[1-(4-phenoxyphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations