Geometry & MOs

Info

ID:	170815
PubChem CID:	75283154
Reduced:	NOH10C12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	551.197774
ΔH_f, kcal/mol:	22.73
Dipole, Da:	3.03
IP(EA), eV:	-8.62(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]amino]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC=C2C3=CC=CC=C3N=C2C4=CC=CC=C4

DOS

IR

Vibrations