Geometry & MOs

Info

ID:	320002
PubChem CID:	126657787
Reduced:	ClO3N5C23H24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	355.154349
ΔH_f, kcal/mol:	-26.46
Dipole, Da:	3.55
IP(EA), eV:	-8.5(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-acetyloxy-3-aminopropyl]-(3-fluoro-4-morpholin-4-ylphenyl)carbamic acid

Drug info:

PubChemData

Smile

CN(C)C(=N)C1=CC=C(C=C1)C(NC2=C(C=C(C=C2)OC)C(=O)NC3=NC=C(C=C3)Cl)O

DOS

IR

Vibrations