Geometry & MOs

Info

ID:	61426
PubChem CID:	26709169
Reduced:	BrN2S2O3C18H27 (1)
Stoich.:	AB2C2D3E18F27 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-116.21
Dipole, Da:	2.16
IP(EA), eV:	-9.54(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclooctylamino)-2-oxoethyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations