Geometry & MOs

Info

ID:	81947
PubChem CID:	49855383
Reduced:	BClN2O4C25H32 (1)
Stoich.:	ABC2D4E25F32 (1)
Weight, g/mol:	293.142722
ΔH_f, kcal/mol:	-250.8
Dipole, Da:	1.77
IP(EA), eV:	-9.12(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexanecarbonylamino)-3-(3-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

B([C@H](CC(C)C)NC(=O)CC(C1=CC(=CC=C1)Cl)NC(=O)[C@H]2CCCC3=CC=CC=C23)(O)O

DOS

IR

Vibrations