Geometry & MOs

Info

ID:	201319
PubChem CID:	79524976
Reduced:	BrSN2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-73.96
Dipole, Da:	2.96
IP(EA), eV:	-8.99(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=O)CC(C2=O)SC3=C(C=CC(=C3)Br)N

DOS

IR

Vibrations