Geometry & MOs

Info

ID:	156166
PubChem CID:	56369389
Reduced:	N2F3O3C23H29 (1)
Stoich.:	A2B3C3D23E29 (1)
Weight, g/mol:	460.220951
ΔH_f, kcal/mol:	-263.64
Dipole, Da:	7.07
IP(EA), eV:	-8.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)NCC(COC2=CC=C(C=C2)C(F)(F)F)O)C(C)C

DOS

IR

Vibrations