Geometry & MOs

Info

ID:	273897
PubChem CID:	103805722
Reduced:	BrOSN2C14H21 (1)
Stoich.:	ABCD2E14F21 (1)
Weight, g/mol:	264.129634
ΔH_f, kcal/mol:	-23.71
Dipole, Da:	2.97
IP(EA), eV:	-8.99(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-aminocyclohexyl]-4-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

CC(C)NCC1CCCN(C1)C(=O)C2=CSC(=C2)Br

DOS

IR

Vibrations