Geometry & MOs

Info

ID:	43645
PubChem CID:	10321586
Reduced:	ON3C30H33 (1)
Stoich.:	AB3C30D33 (1)
Weight, g/mol:	449.97935
ΔH_f, kcal/mol:	3.36
Dipole, Da:	4.45
IP(EA), eV:	-8.22(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[3-(4-bromophenyl)-5-[chloro(difluoro)methyl]-1,2-oxazole-4-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1CC2(CCN(CC2)CC3=CC4=C(C=C3)C5=CC=CC=C5N4)C6=CC=CC=C16

DOS

IR

Vibrations