Geometry & MOs

Info

ID:	360808
PubChem CID:	127301453
Reduced:	SN4O4C15H24 (1)
Stoich.:	AB4C4D15E24 (1)
Weight, g/mol:	383.10704
ΔH_f, kcal/mol:	-100.24
Dipole, Da:	2.11
IP(EA), eV:	-9.25(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCN(CC2)C(C)C(=O)NC3CC3

DOS

IR

Vibrations