Geometry & MOs

Info

ID:	427412
PubChem CID:	135158548
Reduced:	SN3O5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	415.199488
ΔH_f, kcal/mol:	-113.71
Dipole, Da:	7.02
IP(EA), eV:	-9.06(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]-2-phenylacetate

Drug info:

PubChemData

Smile

CN(C)CCN(C1=CC(=C(C=C1)N(CC(=O)O)C=C)C=O)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations