Geometry & MOs

Info

ID:	432068
PubChem CID:	135172200
Reduced:	ClO2N4C24H33 (1)
Stoich.:	AB2C4D24E33 (1)
Weight, g/mol:	492.226037
ΔH_f, kcal/mol:	-59.8
Dipole, Da:	10.14
IP(EA), eV:	-8.22(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1R)-1-hydroxy-2-[hydroxy-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NN=C(C=C3)Cl

DOS

IR

Vibrations