Geometry & MOs

Info

ID:	442305
PubChem CID:	135251190
Reduced:	SF2O3N7C29H33 (1)
Stoich.:	AB2C3D7E29F33 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-123.63
Dipole, Da:	4.2
IP(EA), eV:	-8.07(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-aminocyclononane-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=CC=CC2=C1NC=C2C3=NC(=NC=C3F)NC4=C(C(=CC=C4)S(=O)(=O)C)F)N5C[C@H](N[C@@H](C5)C)C

DOS

IR

Vibrations