Geometry & MOs

Info

ID:	345883
PubChem CID:	127270183
Reduced:	SN3O3C20H33 (1)
Stoich.:	AB3C3D20E33 (1)
Weight, g/mol:	398.155866
ΔH_f, kcal/mol:	-172.73
Dipole, Da:	5.74
IP(EA), eV:	-8.63(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyltetrazol-5-yl)sulfanyl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]propanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC1C(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations