Geometry & MOs

Info

ID:	128366
PubChem CID:	51041496
Reduced:	Cl2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	459.113188
ΔH_f, kcal/mol:	-170.64
Dipole, Da:	3.11
IP(EA), eV:	-9.58(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamimidoyl-N-[2-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(C1=CC=CC=C1)Cl)(CC(C2=CC=CC=C2)Cl)C(=O)OCC

DOS

IR

Vibrations