Geometry & MOs

Info

ID:	69336
PubChem CID:	46530732
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	398.093643
ΔH_f, kcal/mol:	-83.05
Dipole, Da:	2.66
IP(EA), eV:	-9.43(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]ethyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations