Geometry & MOs

Info

ID:	146308
PubChem CID:	53668156
Reduced:	N4O5C33H40 (1)
Stoich.:	A4B5C33D40 (1)
Weight, g/mol:	476.01539
ΔH_f, kcal/mol:	-148.61
Dipole, Da:	1.87
IP(EA), eV:	-8.77(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-bromo-2-methylsulfanyl-4-(triazol-1-yl)benzoyl]-5-cyclopropyl-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H](C(CC(=O)N)C1=C(C=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)N4CCN(CC4)C

DOS

IR

Vibrations