Geometry & MOs

Info

ID:	368371
PubChem CID:	127328247
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-31.74
Dipole, Da:	5.21
IP(EA), eV:	-8.93(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanyl-N-methylacetamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)CSC2=NN=NN2C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations