Geometry & MOs

Info

ID:	360815
PubChem CID:	127301460
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-50.32
Dipole, Da:	4.79
IP(EA), eV:	-9.71(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCCC2C3=CC=CC=C3

DOS

IR

Vibrations