Geometry & MOs

Info

ID:	379314
PubChem CID:	134357799
Reduced:	BrSN2O2C11H13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	397.156848
ΔH_f, kcal/mol:	-62.32
Dipole, Da:	3.98
IP(EA), eV:	-8.76(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[4-(6-chloro-5-fluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)SC2=C(C=C(C=C2)Br)N)C(=O)O

DOS

IR

Vibrations