Geometry & MOs

Info

ID:	360834
PubChem CID:	127301486
Reduced:	SN2O4C11H18 (1)
Stoich.:	AB2C4D11E18 (1)
Weight, g/mol:	372.183127
ΔH_f, kcal/mol:	-125.39
Dipole, Da:	4.77
IP(EA), eV:	-9.81(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)NC(C)C2CCCO2

DOS

IR

Vibrations