Geometry & MOs

Info

ID:	138290
PubChem CID:	52341187
Reduced:	F2N2O3C21H25 (1)
Stoich.:	A2B2C3D21E25 (1)
Weight, g/mol:	390.175499
ΔH_f, kcal/mol:	-153.58
Dipole, Da:	4.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.133840
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R)-3-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]-2-hydroxypropoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OC[C@@H](C[NH+](CC2=C(C=C(C=C2)F)F)C3CC3)O

DOS

IR

Vibrations