Geometry & MOs

Info

ID:	132847
PubChem CID:	51432309
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	365.107709
ΔH_f, kcal/mol:	-85.82
Dipole, Da:	5.37
IP(EA), eV:	-8.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-cyclohexylpropanamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3CCCCC3

DOS

IR

Vibrations