Geometry & MOs

Info

ID:	61688
PubChem CID:	26711808
Reduced:	BrSN2O4C19H27 (1)
Stoich.:	ABC2D4E19F27 (1)
Weight, g/mol:	319.1606
ΔH_f, kcal/mol:	-167.17
Dipole, Da:	4.96
IP(EA), eV:	-9.68(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-4-(4-methylsulfanylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC[C@@H]3CCCO3)Br

DOS

IR

Vibrations