Geometry & MOs

Info

ID:	218303
PubChem CID:	85089149
Reduced:	SO7C23H26 (1)
Stoich.:	AB7C23D26 (1)
Weight, g/mol:	446.241687
ΔH_f, kcal/mol:	-211.04
Dipole, Da:	4.88
IP(EA), eV:	-9.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[4-[5-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]phenyl]-3-hydroxypropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(C(=O)C=CC(O1)OCCOCCOC)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations