Geometry & MOs

Info

ID:	344943
PubChem CID:	127268703
Reduced:	NS2O5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	392.18035
ΔH_f, kcal/mol:	-205.48
Dipole, Da:	9.93
IP(EA), eV:	-9.87(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]sulfonyl]thiane 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations