Geometry & MOs

Info

ID:	179711
PubChem CID:	76520211
Reduced:	N3O6C31H46 (1)
Stoich.:	A3B6C31D46 (1)
Weight, g/mol:	318.097762
ΔH_f, kcal/mol:	-245.82
Dipole, Da:	7.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771578
Charge, e:	-1

Chem-info

IUPAC name:

2-(methoxycarbonylamino)-2-[5-(4-methoxyphenyl)furan-2-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)N(C(CC1=CC=CC=C1)C(CNCC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)OC)C(=O)[O-]

DOS

IR

Vibrations