Geometry & MOs

Info

ID:	321505
PubChem CID:	126666451
Reduced:	FOSN6H19C21 (1)
Stoich.:	ABCD6E19F21 (1)
Weight, g/mol:	314.107813
ΔH_f, kcal/mol:	37.28
Dipole, Da:	4.67
IP(EA), eV:	-8.75(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-[[2-(difluoromethoxy)benzoyl]amino]cyclopentyl]carbamic acid

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)NC(=O)C2=C(C=CC=N2)N3C=CC=N3)NC4=NC5=C(S4)C=C(C=C5)F

DOS

IR

Vibrations