Geometry & MOs

Info

ID:	129110
PubChem CID:	51070731
Reduced:	N3O7C25H29 (1)
Stoich.:	A3B7C25D29 (1)
Weight, g/mol:	511.211864
ΔH_f, kcal/mol:	-175.16
Dipole, Da:	7.49
IP(EA), eV:	-8.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethoxyphenyl)-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=CC(=NO2)C(=O)N(CCC(=O)NCC3=CC=CO3)CC4CCCO4

DOS

IR

Vibrations