Geometry & MOs

Info

ID:	129109
PubChem CID:	51070642
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	483.20055
ΔH_f, kcal/mol:	-68.0
Dipole, Da:	4.72
IP(EA), eV:	-9.09(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethoxyphenyl)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC(=NO2)CN(CCOC)S(=O)(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations