Geometry & MOs

Info

ID:	76867
PubChem CID:	48425500
Reduced:	N3O4C13H23 (1)
Stoich.:	A3B4C13D23 (1)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	-196.96
Dipole, Da:	8.97
IP(EA), eV:	-9.65(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]phenyl]sulfanylmethyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCCN1CCOC1=O

DOS

IR

Vibrations