Geometry & MOs

Info

ID:	131307
PubChem CID:	51188509
Reduced:	FSN3O3C16H16 (1)
Stoich.:	ABC3D3E16F16 (1)
Weight, g/mol:	394.283158
ΔH_f, kcal/mol:	-98.03
Dipole, Da:	8.21
IP(EA), eV:	-9.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[bis(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1F)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2

DOS

IR

Vibrations