Geometry & MOs

Info

ID:	146678
PubChem CID:	53730191
Reduced:	NPO9C25H40 (1)
Stoich.:	ABC9D25E40 (1)
Weight, g/mol:	475.035444
ΔH_f, kcal/mol:	-452.25
Dipole, Da:	7.56
IP(EA), eV:	-9.63(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-4-[3,4-dichloro-2-(dimethoxyphosphorylmethyl)benzoyl]-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

CCC1C=CC(=O)OC1C=CC(CCN)(C(CC(C=CC=CC2CCCC(C2)O)O)OP(=O)(O)O)O

DOS

IR

Vibrations