Geometry & MOs

Info

ID:	138241
PubChem CID:	52332859
Reduced:	O4N5C19H24 (1)
Stoich.:	A4B5C19D24 (1)
Weight, g/mol:	374.139033
ΔH_f, kcal/mol:	-78.16
Dipole, Da:	3.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.858978
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[2-[[(1R)-1-(3-nitrophenyl)ethyl]carbamoylamino]ethyl]benzamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)NC(=O)C(=O)NC[C@@H](C3=CC=CO3)[NH+](C)C)N(C1=O)C

DOS

IR

Vibrations